List of articles (by subject) Journal of Physical & Theoretical Chemistry
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Open Access Article
1 - Sepration and determination trace amount of cadmium ions in real and water samples by cloud point extraction - flame atomic absorption spectrophotometry after preconcentration with non-ionic surfactant Triton-X114
gholamhossein vatankhah mahboube ebrahimi darush jafari -
Open Access Article
2 - QSAR study of camptothecin derivatives as anticancer drugs using genetic algorithm and multiple linear regression analysis
fatemeh shafiei Shahaboddin Mohebbi Tahereh Momeni Isfahani Mehdi Ahmadi Sabegh -
Open Access Article
3 - Electroanalysis of Trace Amount Hg2+ Ion in Water Samples Using Sensor Co3O4-CeO2-ZnO/CPE and Square Wave Anodic Stripping Voltammetry (SWASV) Method
Shahnaz Davoudi -
Open Access Article
4 - Ultrasonic Assisted Removal of humic acids (HAs) from aqueous solutions on Uultrasonically polysulfone/ X% Fe2O3 mixed matrix membrane, An Experimental Design Methodology
Fereydoon Khazali Shahnaz Davoudi -
Open Access Article
5 - Investigation of Silicon Nanowires Roles in Solar Cells
Ali Mahmoudloo Seyyed Sadegh Gholami -
Open Access Article
6 - Quantitative Structure-Property Relationship to Predict Quantum Properties of Monocarboxylic Acids By using Topological Indices
fatemeh shafiei -
Open Access Article
7 - Theoretical investigation of the implicit effects water molecules and resonance interactions on structural stability and NMR tensors of hallucinogenic harmine by density functional calculations
neda ahmadinejad arezoo tahan Mostafa Talebi Tari1 -
Open Access Article
8 - Theoretical study of the solvent effects on the thermodynamic functions of Alanine and Valine Amino Acids
farideh Keshavarz Rezaei -
Open Access Article
9 - Corrosion Inhibition of 5-Methyl-2H-imidazol-4-carboxaldehyde and 1H-Indole-3-carboxyaldehyde on Mild Steel in 1.0 M HCl: Gravimetric Method and DFT Study.
Banjo Semire O.F Adekunle S.B Akanji V Adewumi -
Open Access Article
10 - Electrochemical Determination of Thioridazine at Carbon Ionic Liquid Electrode
Mahzad Sakiani Abulhasan Fatemeh Farjami -
Open Access Article
11 - A computational chemistry investigation of the intermolecular interaction between ozone and isothiocyanic acid (HNCS)
Morteza Rouhani -
Open Access Article
12 - Application of Graph Theory: Investigation of Relationship Between Boiling Temperatures of Olefins and Topological Indices
Esmat Mohammadinasab -
Open Access Article
13 - Adsorption of Malachite Green Dye from Aqueous Solutions Using Roots of Azolla Filiculoides
zohreh khoshraftar Ali Shamel -
Open Access Article
14 - The effects of Na & Mg adsorption on the electrical properties of SiCNTs: A DFT study
Mahdi Rezaei Sameti M. Rakhshi -
Open Access Article
15 - Quantum Chemical Modeling of 1-(1, 3-Benzothiazol-2-yl)-3-(thiophene-5-carbonyl) thiourea: Molecular structure, NMR, FMO, MEP and NBO analysis based on DFT calculations
Masoome Sheikhi Siyamak Shahab -
Open Access Article
16 - Investigation of Langmuir and Freundlich Adsorption Isotherm of Pb2+ Ions by Micro Powder of Cedar Leaf
gholamali haghdoost hosain aghaie Majid Monajjemi -
Open Access Article
17 - Determination of thermodynamic parameters of produced materials from (ATTZ) with boron nitride nano-cages in different conditions of temperature, with DFT method
Roya Ahmadi Elahe Sadat Mirkamali -
Open Access Article
18 - Interaction of SO2 gas with the pristine and B&O atoms doped AlNNTs: A DFT study
Mahdi Rezaei Sameti -
Open Access Article
19 - A computational study of Nitramide adsorption on the surface of pristine and Ni functionalized (4,4) armchair Gallium nitride nanotubes
Mahdi Rezaei Sameti -
Open Access Article
20 - Prediction of the structural and spectral properties for L,L-ethylenedicysteine diethylester (EC) and its complex with Technetium-99m radionuclide
Mehdi Nabati -
Open Access Article
21 - The Possibility of Selective Adsorption and Sensing of the Noble Gaseous Species by the C20 Fullerene, the Graphene Sheets, and the N4B4 Cluster
Parvaneh Pakravan -
Open Access Article
22 - Quantum Chemical Modeling of N-(2-benzoylphenyl)oxalamate: Geometry Optimization, NMR, FMO, MEP and NBO Analysis Based on DFT Calculations
Masoome Sheikhi Siyamak Shahab Ali Ramazani -
Open Access Article
23 - Adsorptive removal of erythrosine dye from aqueous solutions using used cigarette filter ash loaded with Al/ Fe oxides
Marziyeh Ajoor Farid Moeinpour -
Open Access Article
24 - Electronic Structure, Biological Activity, Natural Bonding Orbital (NBO) and Non-Linear Optical Properties (NLO) of Poly-Functions Thiazolo [3,2-a]Pyridine Derivatives. DFT Approach
Shimaa Hussien hussien moustafa -
Open Access Article
25 - Investigating the Effect of Fullerene (C20) Substitution on the Structural and Energetic Properties of Tetryl by Density Functional Theory
Mohammad Jalali Sarvestani Roya Ahmadi -
Open Access Article
26 - The Effect of Magnetic Nanoparticles along with Magnetic Experimental Modeling for the Desalination of the Caspian Sea Water
Kamran Lari nikoo ostovar -
Open Access Article
27 - Computational Investigation on Naphthoquinone Derivatives :Nuclear Magnetic Resonance (NMR) and Quantum mechanic
shamsa sharifi -
Open Access Article
28 - Computational study of energetic, stability, and nuclear magnetic resonance of BN nanotube as a nanosensor
Elham Pournamdari -
Open Access Article
29 - Quantum-Chemical and Solvatochromic analysis of solvent effects on the Electronic Absorption Spectra of Some Benzodiazepine Derivatives
Sikiru Ahmed Banjo Semire Abideen Adeogun -
Open Access Article
30 - The effects of isomerism and side chain mutation on binding energy and NMR/NQR tensors of L-methionylasparagine and L-asparagylmethionine
Arezoo Tahan -
Open Access Article
31 - Enhanced Removal of Trihalomethanes(THMs) from Aqueous Solutions Using Activated Carbon from Walnut Wood(WC) on Equilibrium, Thermodynamic and Kinetics
gholamhossein vatankhah tuba Ershad -
Open Access Article
32 - Enhanced removal of humic acids (HAs) from aqueous solutions using MWCNTs modified by N-(3-nitro-benzylidene)-N-trimethoxysilylpropyl-ethane-1,2-diamine on Equilibrium, thermodynamic and kinetics
nima karachi -
Open Access Article
33 - Structural Characteristics and Reactivity Relationship of some Thiophene Derivatives
Moriam Adeoye -
Open Access Article
34 - Determination of Trace Amount of Zn2+ Ion in soil, blood and vegetable and water samples by Flame Atomic Absorption Spectrometry After Cloud Point Extraction Using Selective Synthesis Ligand2-(3- indolyl) – 4,5 di phynyl imidazole.
gholamhossein vatankhah hboube ebrahimi darush jafari -
Open Access Article
35 - Using Implicit/Explicit Salvation Models to Theoretical Study Tautomerism in 7H-purine-2, 6-diamine
javad hosseini -
Open Access Article
36 - DFT study of the intermolecular interaction of 3,4-dinitropyrazole (DNP) and H2O
Morteza Rouhani -
Open Access Article
37 - Enhanced removal of Bismark Brown(BB) dye from aqueous solutions using activated carbon from raw Ziziphusspina-christi (ZSAC) Equilibrium, thermodynamic and kinetics
gholamhossein vatankhah hossein koohmareh -
Open Access Article
38 - Novel Quaternary ammonium modified-tragacanth gum hydrogels for drug delivery applications with antimicrobial activity and release kinetic study
Javid Monjezi Rezvan Jamaledin Mousa Ghaemy Pooyan Majvandi -
Open Access Article
39 - Reactivity and aromaticity of hexasiline derivatives Si6XH5 (X = H, F, Cl, Br, COOH, NO2, NH2, CH3 and tBu)
Mehdi Nabati -
Open Access Article
40 - Antioxidant Properties of Ajwain using Square wave, Cyclic voltammetry methods and DPPH method
Zahra khoramian Mohammad Hadi Givianrad Hessam Sepasi Tehrani -
Open Access Article
41 - Investigation of shear stability of commercial polymer of viscosity index improver for determination of engine oil optimal formulation
Mehran Aghaie Mazandarani E. Sadeghi ghari H. -
Open Access Article
42 - Evaluation of the antioxidant activity of Thymus Using Electrochemical Methods and radical scavenging method
Amir Yousefi Mohammad Hadi Givianrad Hessam Sepasi Tehrani -
Open Access Article
43 - The Use of Corn cob Micro Powder as a Low Cost Adsorbent, for the Removal of Co2+Ion from Aqueous Solutions and from the View Point Thermodynamics
gholamali haghdoost -
Open Access Article
44 - Removal of Basic Dye Bromophenol Blue from aqueous solution by Electrocoagulation using Al – Fe Electrodes: Kinetics, Equilibrium and Thermodynamics Studies.
Abideen Adeogun B Babu -
Open Access Article
45 - Theoretical structural analysis of 3-CHLORO-4-FLUORO-ANILINE.
Muhammad Aziz Sohail Nadeem Muhammad Anwar -
Open Access Article
46 - Theoretical investigation about the adsorption of the Sarin nerve agent on C20 fullerene and its boron-doped derivative
Morteza Rouhani -
Open Access Article
47 - TD-DFT Calculations, Electronic Structure, Biological Activity, NBO, NLO Analysis and Electronic Absorption Spectra of Some 3-Formylchromone Derivatives
Shimaa Hussien hussien moustafa Nabil H. Amin Magdy A. Ibrahima ELShimaa Ibrahima -
Open Access Article
48 - Physicochemical properties analysis and dopamine D2 receptor (D2R) docking of zotepine as an atypical antipsychotic antagonist
Mehdi Nabati Vida Bodaghi-Namileh -
Open Access Article
49 - Effect of Fe3+–MMT on thermal degradation and mechanical behavior of PVP/Amylose nanocomposite films
naser sadeghpour orang Reza Abdollahi -
Open Access Article
50 - Effect of Solvent polarities on the molecular properties of 2-(2-nitrovinyl) furan
Moriam Adeoye KAZEEM ALABI Ibahim Abdulsalaami -
Open Access Article
51 - Evaluation of [18F]FPTT Molecular structure and its binding to progesterone receptor (PR) for PET scan of breast cancer FPTT Molecular structure and its binding to progesterone receptor (PR) for PET scan of breast cancer
Mehdi Nabati Vida Bodaghi-Namileh Mohammad Mazidi -
Open Access Article
52 - Theoretical Studies of Solvent Effects on the Electronic Properties of 1, 3-Bis [(Furan-2-yl) Methylene] Urea and Thiourea
M. D. Adeoye I. O. Abdulsalami G. O. Oyeleke K. A Alabi -
Open Access Article
53 - Removal of Reactive Red 120 from Aqueous Solutions Using Albizia lebbeck Fruit (Pod) Partical as a Low Cost Adsorbent
gholamali haghdoost -
Open Access Article
54 - A deductive kinetic study of diclofenac release from chitosan-based magnetic nanocomposite hydrogels
Zargazi M. H. Ghadimi Yari M. Mehran Kurdtabar -
Open Access Article
55 - The NBO, AIM, MEP, thermodynamic and quantum parameters investigations of Pyrrole 2-carboxylic acid molecule adsorption on the pristine and Ni doped B12N12 nano cage
Mahdi Rezaei Sameti Zamanian F. -
Open Access Article
56 - Theoretical Thermodynamic Study of Arginine and Lysine Amino Acids at different Solvents
farideh Keshavarz Rezaei -
Open Access Article
57 - Elimination of Reactive Red 120 (RR-120) Dye from Aqueous Solution by the using of Date Cores Particles
gholamali haghdoost -
Open Access Article
58 - Density Functional Theory Calculations of Functionalized Carbon Nanotubes with Metformin as Vehicles for Drug Delivery
Morteza Keshavarz -
Open Access Article
59 - The Effect of Different Auxiliary Collector in Flotation of Phosphate Ore
Melina Seyed Momen Makan Etefagh Amir Hassanjani Roshan Hassan Koohestani -
Open Access Article
60 - Synthesis of PbS Functionalized with gelatin as a Fluorescence-Enhanced Sensor for determination of Phenylpropanolamine (PPA) drug in blood and urine samples
Shirin Bouroumand Farzaneh Marahel Fereydoon Khazali -
Open Access Article
61 - The interaction of 5-Flucytosine drug with pristine and (n=1,2,3)H+ ions functionalized B12N12 nanocage: A DFT, TD-DFT, NLO and AIM study
Mahdi Rezaei Sameti Samira Dosti Tapgombadi -
Open Access Article
62 - Removal Phenol from Aqueous Solutions Using Environmental friendly and Effective Adsorbent onto Mn-doped Fe2O4 nanoparticles loaded on activated carbon
Moslem Rahmani piani Maryam abrishamkar Bijan Mombeni Goodajdar -
Open Access Article
63 - Ultrasonic Assisted Removal of Methyl Paraben on Ultrasonically Synthesized Zn(OH)2-NPs-AC: Experimental Design Methodology
Amir Abbas Ghazali -
Open Access Article
64 - Adsorption of Benzyl Paraben Dye from Aqueous Solutions Using synthesized Mn-doped PbS (PbS:Mn) nanoparticles
elham mosavi alireza geramizadegan -
Open Access Article
65 - QSPR Models to Predict Thermodynamic Properties of Alkenes Using Genetic Algorithm and Backward- Multiple Linear Regressions Methods
fatemeh Ghaemdoost fatemeh shafiei -
Open Access Article
66 - Ultrasonic Assisted Adsorption of Crystal Violet (CV) Dye by CM-β-CD-Fe3O4NPs Synthesis: Experimental Design Methodology
Ali Omaniziarati Gholamhossein Vatankhah -
Open Access Article
67 - investigate of the structure and dynamics at the water- nickel nanosheet interface and Comparative by bulk water, with using reactive force fields
karim zare marziyeh samimi majid monajemi -
Open Access Article
68 - Quantitative structure–property relationship models to Predict some thermodynamic properties of Imidazole Derivatives using molecular descriptor and genetic algorithm-multiple linear regressions
shiva Moshayedi fatemeh shafiei Tahereh Momeni Isfahani -
Open Access Article
69 - Effects of Laser Process Parameters on Geometrical Characteristics of Aluminized Inconel738 superalloy by laser cladding
bita mottaghi golshan mohammad mehdi Hadavi monireh ganjali -
Open Access Article
70 - Biological Activity and Lipophilicity Study of Several Doxazolidine as Cancer Cells Inhibitor
maria nikkar robabeh sayyadikordabadi asghar Alizadehdakhel Ghasem Ghasemi -
Open Access Article
71 - Application of Monte Carlo Method and a novel modelling-optimization approach on QSAR Study of Etoposide drugs
Asghar Alizadehdakhel robabeh sayyadikordabadi Ghasem Ghasemi Babak Motahary -
Open Access Article
72 - Monte Carlo and QSAR Study on Biological Activity of Several Platinum (IV) Anti Cancer Drugs
robabeh sayyadikordabadi Abdollah Fallah Shojaei Asghar Alizadehdakhel leila mohammadinargesi Ghasem Ghasemi -
Open Access Article
73 - Applying Kinetic Spectrophotometric Method for Megestrol Drug with Albizia Lebbeck Leaves-capped AgNPs Sensor Synthesis in Urine and Blood Samples
leila niknam Farzaneh Marahel -
Open Access Article
74 - Structural Relationship Study of Octanol-Water Partition Coefficient of the Compounds in kesum Essential Oil Using GA-MLR and GA-ANN Methods
Atefehsadat Navabi Tahereh Momeni Isfahani -
Open Access Article
75 - Adsorption of Cd2+ ions onto magnetic Bentonite/Fe3O4 nanoparticles loaded on Alginate beads in simulated wastewater to protect the environment
Mousa Yari Pirouz Derakhshi Kambiz Tahvildari Maryam Nozari -
Open Access Article
76 - Quantitative Structure- Property Relationship(QSPR) Study of 2-Phenylindole derivatives as Anticancer Drugs Using Molecular Descriptors
samira Bahrami fatemeh shafiei Azam Marjani Tahereh Momeni Isfahani -
Open Access Article
77 - Organic Light Emitting Diode Displays: Enabling the Next Generation of Electronics
Ali Mahmoudloo -
Open Access Article
78 - Investigation Adsorption Tyrosine on Surface Single Walled Aluminum –Nitride and Doped-Si Aluminum-Nitride
Morteza Keshavarz -
Open Access Article
79 - Investigating the Performance of Membrane PEEK/PVA Modified with ZnO Nanoparticles in the Permeability and Selectivity of CO2/N2
Arezoo Ghadi Ahmad Bahreini Mojtaba Masoumi -
Open Access Article
80 - Adsorption of Methylene Blue Dye from Aqueous Solution by Using Gamma Alumina Nanoparticles
gholamali haghdoost -
Open Access Article
81 - Response Surface Methodology for Removal of Butyl Paraben Dye Using Zeolitic Imidazolate-67 Modified by Fe3O4 Nanoparticles from Aqueous Solutions
Arezoo Ghadi Mohammad Pourmohammad Ali Aghababai Beni -
Open Access Article
82 - The Molecular Docking and Molecular Dynamics Simulation of Some HIV-1 protease Inhibitors For the treatment of Coronavirus Disease-19
ghasem ghasemi babak motahary robabe Sayadikordabadi Asghar Alizadehdakhel -
Open Access Article
83 - Investigation the Dependence of Mobility on Carrier Concentration and Temperature in Organic Semiconductors
Ali Mahmoudloo -
Open Access Article
84 - Fullerene (C24) as a Nanocarrier for Procarbazine Anticancer Drug: A Density Functional Theory Investigation
Mohammad Jalali Sarvestani Roya Ahmadi -
Open Access Article
85 - Analytical assessment of steel cord drawing lubricant with and without triple mixed-additive addition
Farinaz Shahimi -
Open Access Article
86 - Computational Design and Synthesis of Molecular Imprinted Polymers for solid-phase Extraction of Acyclovir
gholamali haghdoost -
Open Access Article
87 - The Study of Optical Properties Exciton Based of Molecular Quantum Dot
Ali Mahmoudloo -
Open Access Article
88 - Investigating the Effect of Fullerene (C20) Substitution on the Structural and Energetic Properties of 3-picrylamino-1, 2, 4-triazole by Density Functional Theory
Mohammad Jalali Sarvestani Roya Ahmadi -
Open Access Article
89 - Removal of Bismarck Brown and Disulfine Blue from Aqueous Solutions Using MWCNTs Functionalized by N-(3-nitrobenzylidene)-N'-trimethoxysilylpropyl-ethane-1,2-diamine
Alireza Geramizadegan -
Open Access Article
90 - Elimination of Congored from Aqueous Solution by the using of gamma alumina nanoparticles
gholamali haghdoost -
Open Access Article
91 - Electrocatalytic properties of platinum and it's binary alloy with vanadium in oxygen reduction reaction(ORR)
Mohammad Yari Sajjad Sedaghat Sherehjini -
Open Access Article
92 - Theoretical Study of Flavopiridol Binded to Transition Metals
M. Monajjemi1 H. Passdar L. Saedi R. Ghiasi F. Mollaamin -
Open Access Article
93 - AB Initio Calculations and IR Studies of Tautometric forms of Uracil and Cytosine and comparing results in different temperatures (25˚C, 37˚C and 40˚C).
M. Monajjemi R. Nikmaram F. Mollaamin Z. Azizi -
Open Access Article
94 - DFT Study of NMR Shielding Tensors and Thermodynamic Properties on Pyrene and its Derivatives
R. Zhiani M. Anary Abbasinejad M. Tabatabaee F. Mollaamin -
Open Access Article
95 - Growth of carbon nanostructures upon stainless steel and brass by thermal chemical vapor deposition method
Z. Haghparast F. Bisepar S. A. Khorrami Sh. Moradi H. Aghaie -
Open Access Article
96 - Polymeric Membrane Sensor for Potentiometric Determination of Tin(II) Ions
Hossein Aghaei Masood Giahi Majjid Arvand Mehran Aghaei -
Open Access Article
97 - Construction of S?-Selective Electrode and Thermodynamic Study of the Ternary Aqueous Mixed Electrolyte System (SrCl2, KG, H20) Using Potentiometric Method
M. Kia A. Islamnezhad Sh. Shariati -
Open Access Article
98 - Selective Separation and Transport of Ag+ ion Through a Bulk Liquid Membrane by Bis-2,6-dihydroxymethyl-4-haloanisole as Carrier
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Open Access Article
99 - A conceptual framework chemistry of Hydrated Cations: Part I. Preliminary Ab Initio and QTAIM calculations on [Li(H20)nr (n=1,2,3).
Jamshid Najafpour Gholam Hossein Shafiee Abdolreza Sadjadi Shant Shahbazian -
Open Access Article
100 - Design and Evaluation and Synthesis a Starch-Capped Silver NanoParticles Sensor and Determination trace Sulfacetamide Drug in the Presence Sodium borohydride in Blood and Urine Samples with Kinetic Spectrophotometric Method
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Open Access Article
101 - The effect of polylactic acid support in stability and electrical field of heterocyclic coupled hexa peptide nano systems: A novel strateu to drug delivery
B. Khalil Hadad M. Monajjemi -
Open Access Article
102 - Molecular Dynamics Simulation of Water Transportation through Aquaporin-4 in Rat Brain Cells
F. Kaveh K. zare S. Salemi A. R. Illchani N. Khodayari -
Open Access Article
103 - Theoretical Analysis on the Conformational Features of the HCO—Gly—L—Leu—NH2 Protected Dipeptide Motif: Ab initio and DFT Exploratory
B. Chahkandi M. Chahkandi S. M. Sadati Amin M. Giahi -
Open Access Article
104 - The Interaction between Dopamine and Carbon Nanotube: A DFT and NBO Approach
M. Hesabi -
Open Access Article
105 - Investigation of relationship with electron configuration of chemical hardness, absolute electronegativity and electrophilicity
Savas, Kaya Cemal Kaya -
Open Access Article
106 - An Ab initio Investigation of Pyrene Electronic Structure
M. Monajjemi R. Zhiani H. H. Haeri F. Mollaamin -
Open Access Article
107 - A Priori Prediction of Tissue: Plasma Partition Coefficients (Log BP) of Drugs to Facilitate the Use of MLR and MLR-GA Methods
Z. Bayat J. Movaffagh -
Open Access Article
108 - Removal Studies of Methyl Orange Dye Using Asparagus plant-capped Fe3O4NPs from Aqueous Solutions
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Open Access Article
109 - Thermodynamics Study of Polychlorinated Biphenyls (PCBs) Passing through SWNT and Their Removal from Environment
L. Mahdavian -
Open Access Article
110 - Sensing of Methanol and Ethanol with Nano-Structured SnO2 (110) in Gas Phase: Monte Carlo Simulation
N. Mangkorntong L. Mahdavian F. Mollaamin M. Monajjemi -
Open Access Article
111 - Theoretical Study of Exo-Endo Interconversion of [(R)Ca1ixTMS2]Sn
Avat (Arman) Taherpour -
Open Access Article
112 - The Correlation between Molecular Graph Properties and Vibrational Frequencies
Gholarn Hossein Shafiee Seyed Abdolreza Sadjadi Jamshid Najafpour Hadi Shafice -
Open Access Article
113 - NBO Analysis of Structural and Electronic Properties in B30N20
Rahim Esmkhani Majid Monajjemi -
Open Access Article
114 - Ab initio Study of Simple Mg-Ene Reactions of Propenyl Magnesium Halides and Ethylene (Type-I Intermolecular Reaction)
Elahe Rajaeian Avat (Arman) Taherpour -
Open Access Article
115 - Platinium-Ruthenium electrocatalyst as sensor electrode for methanol oxidation
Mohammad Yari Sajjad Sedaghat -
Open Access Article
116 - Photocatalytic Degradation of an Anionic Surfactant by Tio2 Nanoparticle under UV Radiation in Aqueous Solutions
Zeinab Yaghoubi Bazkiaei Masoud Giahi -
Open Access Article
117 - Application of a dioxime-PVC electrode to potentiometric studies of Cr(III) ion
H. Aghaie M. H. Felcri M. Arvand K. Zare M. Aghaie -
Open Access Article
118 - The kinetic study of the AZo Dye Decolourisation by advanced oxidation process
Azam ALEBOYEH Hamid ALEBOYEH -
Open Access Article
119 - Experimental and theoretical studies on green and efficient deoximation using H202 catalyzed by Montmorillonite-K10 supported MnC12
M. Mahmoodi Hashemi A. Ezabadi Gh.R. Najafi F. Mollaamin M. Khaleghian R. Zhiani -
Open Access Article
120 - Volumetric and viscometric studies of -alanine in water and ammonia solution at 293- 313K: structure making and breaking effect
Adeogun Abideen Idowu Idowu Abidemi Mopelola Ahmed Sikiru Akinyeye Ayegbusi Samuel Temitope -
Open Access Article
121 - Ab Initio Studies of Rotation and Solvent Effects for two important membrane molecules: DPPC and DMPC
M. Movahedi M. Monajjemi F. Mollaamin A. Poorazizi -
Open Access Article
122 - When the classical & quantum mechanical considerations hint to a single point; a microscopic particle in a one dimensional box with two infinite walls and a linear potential inside it
M. Monajjemi K. Zare A.R. Zieglari -
Open Access Article
123 - Quantum mechanics investigation of acid dissociation constant of carboxylic acids in aqueous solution
M. Khaleghian Gh. R. Ghashami -
Open Access Article
124 - Synthesis and Ethanol Sensitivities of Sn02 nanowires Suvit
. Thanasanvorakun Pongsri Mangkomtong Majid Monajjemi Nikom Sangkorntong -
Open Access Article
125 - Multiresidue determination of organophosphorus pesticides in corn oil using solid-phase extraction with lanthanum silicate sorbent and gas chromatography
Syed w. Husain Vahid kiarostami Mohsen Morravati M.R Tagebakhsh Ali Roozbahani -
Open Access Article
126 - Interaction of Dioxovanadium(V) Ion with Methionine at Different Ionic Strengths
M. Kia F. Gharib G. Ghasemi -
Open Access Article
127 - Topological analysis and Quantum mechanical structure of Ozone
Gholam Hossein Shafiee Abdolreza Sadjadi Cina Foroutan Nejad -
Open Access Article
128 - The correlations between chemical structure properties and antiviral activities of HIV-1 inhibitors: The study of anti-AIDS
Majid Monajjemi Anita Abedib -
Open Access Article
129 - Recent Applications of Meldrum's Acid in Organic Synthesis
Issa Yavari -
Open Access Article
130 - Response of semi-empirical and AB initio methods to angle strain and conjugation effects in (Z,Z,Z)-Cycloocta-1,3,5-triene
Issa Yavari Hassan Kabiri-Fard -
Open Access Article
131 - Investigation of Ethanol Effect on Albumin Active Site by Simulation Methods and Calculation of its Heat Capacity
N. Dalili Mansour K. Zare G. Ghasemi -
Open Access Article
132 - Ab initio Calculations SWNTs and Investigation of Interaction Atoms of Oxygen with that by Computational Calculations
M. Kia V. Pourghasem F. Niksolat -
Open Access Article
133 - Topological Analysis of Theoretical Charge Density of Alkali Metal Cations (LC, Na+, le)ICrown Ether (18e6) Complexes
J. Narafpour A. Sadjadi -
Open Access Article
134 - Modeling of the hydration shell of Adenine
K. Zare N. Karimi R.l Savadi A. Abedi M.A. Sevedsadiadi -
Open Access Article
135 - Energy Study at Different Temperatures for Active Site of Azurin in Water, Ethanol, Methanol and Gas Phase by Monte Carlo Simulations
K. Shahanipour T. Nejad Satari -
Open Access Article
136 - AB Initio Calculations of NMR Spectra for H20114C9N4 As A New Nanosemiconductor Molecule
E. Pournamdari M. Monajjemi -
Open Access Article
137 - Structural Relationship Between Randić Indices, Adjacency, Distance Matrixes and Molar Absorption Coefficient of Linear Conjugated Polyene Compounds
Avat (Arman) Taherpour Fatemeh Shafiee -
Open Access Article
138 - A New Modification of Morse Potential Energy Function
F. Naderi M. Yari F. Mollaamin A.R. Ilkhani M. Khaleghian M. Monajjemi N. Khodayari -
Open Access Article
139 - Novel ZrO2 ion-selective electrode based on 4,7,13,16,21,24-hexa oxa- 1,10- diazabicyc1o[8,8,8]-hexa cosane as neutral carrier in PVC matrix
M. Aghaie K. Zare M. Giahi -
Open Access Article
140 - Coating of Iron Oxide Nanoparticles with Human and Bovine Serum Albumins: A Thermodynamic Approach
M. Keshavarz Z. Ghasemi -
Open Access Article
141 - Thermal stability of P-lactoglobulin Bin the presence of ‘ucrnse, sorbitol and trehalose as osmolJtes
Zohreh Saadati Karim Zare Abdol-Khalegh Bordbar Hossein Aghaie -
Open Access Article
142 - NMR and vibrational spectra of 2-methoxycarbonyl-7-methyl-1,3-thiazino[3,2- b][1,2,4]triazine-4,8-dione: a joint of experimental and DFT
M. R. Zardoost N. Nami M. Azimi -
Open Access Article
143 - Hydrolysis of cadmium cation in different ionic strength
Farahnaz Soleimani Hossein Aghaie Farrokh Gharib -
Open Access Article
144 - Physicochemical Study of the Interaction of some Water Soluble Porphyrins with Calf Thymus DNA
H. Aghaie M. Keshavarz K. Zare M. Aghaie A.K. Bordbar -
Open Access Article
145 - CATALYTIC REFORMING OF n-HEPTANE ON PLATINUMNIOBIUM SUPPORTED ON GAMMA-ALUMINA
Mehdi Vadi Gholamreza Farmani Hamidreza Seyedjafari M. Sohrabi -
Open Access Article
146 - Topological Relationship Between One-Dimensional Box Model and Randić Indices in Linear Simple Conjugated Polyenes
Avat (Arman) Taherpour Fatemeh Shafiei -
Open Access Article
147 - Comparison of the vanadyl-selective electrodes prepared by sol–gel and PVC membrane techniques
Masoud Giahi Mohammad Ali Bagherinia Azin Azari -
Open Access Article
148 - Electronic transport in Si and Au monoatomic chains considering strongly correlation effect, a first principle study
Mansoureh Pashangpour Vahid Ghaffari -
Open Access Article
149 - Synthesis and Characterization of PbTiO3 Nanopowders by Citric Acid Gel Method
K. Zare M. S. Sadjadi M. Enhessari S. Khanahmadzadeh -
Open Access Article
150 - Kinetic study on the electrodecolorization of C.I. Acid Yellow 23
N. Modirshahla M.A. Behnajady S. Kooshaiian -
Open Access Article
151 - Hydration energy of Adenine, Guanine, Cytosine and Thymine : Monte Carlo simulation
S. Ketabi M. Hashemian Zadeh A. Amiri -
Open Access Article
152 - Selective and stable adhesion of Yeast cells to Boronate-containing Polymer Grafted to glass Supports
H.A Panahi A.E. Ivano I.Y Galaev Bo. Mattiasson H.S Waqif M. Jahanshahi -
Open Access Article
153 - The Structural Relationship Between Topological Indices and Some Thermodynamic Properties
F. Shafiei M. Aghaie K. Zare H. Aghaie -
Open Access Article
154 - An Ab initio and chemical shielding tensors calculations for Nucleotide 5’-Monophosphates in the Gas phase
M. Monajemi M.A Seyed Sajjadi R. Sayyadi G. Ghassemi -
Open Access Article
155 - Ab Initio Study of Conformational and Configurational Properties of 1, 3- Diazacyclohepta-1, 2-diene and 1, 3-Diazacycloocta-1, 2-diene
Issa Yavari Vahideh Hadigheh-Rezvan Mohsen Dadgar -
Open Access Article
156 - Investigation of solvent effect on the active site energy of Carbonic Anhydrase and Ribonucleotide Reductase
M. Heshmat S. Saki M. Khaleghian S. Irani M. Monajjemi -
Open Access Article
157 - Molecular dynamics simulation of interaction of Melittin and DMPC bilayer: Temperature dependence
F. Kaveh H. Pasdar -
Open Access Article
158 - Theoretical Study of Addition Reaction of Carbene and Zigzag Single-walled Carbon Nanotube
Saeid Abedini Khoramie Shahram Moradi Somayeh Miryousefi Samira Eftekharjoo -
Open Access Article
159 - Decontamination of DMMP by adsorption on ZnO, A Computational Study
F. R. Nikmaram J. Najafpour M. Ashrafi Shahri -
Open Access Article
160 - Investigation of the Effect of Penicillin as a Green Corrosion Inhibitor for Mild Steel Using Electrochemical Techniques
M. Shahidi Gh. Golestani D. Ghazanfari -
Open Access Article
161 - Protonation Constants of Glycylisoleucine at Different Ionic Strengths and Various Ionic Media
Sima Mehdizadeh Romina Shakibazadeh Sasan Sharifi Farrokh Gharib -
Open Access Article
162 - Cyeloaddition Reactions Between C30 and Huta- 1,3 -diene An ab initio Study
Seeid Abedini Khorrami Shahram Moradi Hajar Mohammadzadeh Bahar -
Open Access Article
163 - Topological Analysis and Quantum Mechanical Structure of C4 and C5 Pure Carbon Clusters
Gholam Hossein Shafiee Jamshid Najafpour Seyed Abdolreza Sadjadi -
Open Access Article
164 - Steric effects on the Singlet–Triplet Energy Gaps of Seven Membered Ring silylenes, R2C6H6Si
M. Nikoorazm E. Vessally E. Abolfathi -
Open Access Article
165 - Thermodynamic study of Cu(II) ion-selective membrane electrode based on his (N-salicylidene-3,32-diamino dip hen y sulfone
E. Baghdar F. Fekri dar M. Giahi S. Farhadi M. Aghaie -
Open Access Article
166 - In-situ synthesis and characterization of conducting metal — polyaniline nanocomposites
M. Yari S. Sedaghat -
Open Access Article
167 - Spectroscopic study on the interaction of three water-soluble porphyrins with calf thymus DNA
H. Aghaie M. Keshavarz K. Zare A.K. Bordbar F. Gharib -
Open Access Article
168 - Potentiometric Study on the Interaction of Hexadecyl Ttimethyl Ammonium Bromide (HTAB) with Urease Enzyme
Morteza Keshavarz -
Open Access Article
169 - A Theoretical Study on Cycloaddition of 2-Ethyny1-2, 3-Dihdrofurane and Phenyl Azide
Seyyed Amir Siadati Mohammad R. Zardoost Mohamad R. Emadi Toosse -
Open Access Article
170 - Zeolite catalyzed alkylation of toluene by alcohol
F. Sheikhoslamy M. Yari K. Ahzan -
Open Access Article
171 - Metal ions binding study on human growth hormone by isothermal titration calorimetric method
A.A. Saboury MS. Atri -
Open Access Article
172 - Investigation of Monte Carlo, Molecular Dynamic and Langevin dynamic simulation methods for Albumin- Methanol system and Albumin-Water system
M. Monajjemi N. Dalili Mansour A. Kazemi Babaheydari M. Khaleghian -
Open Access Article
173 - Catalytic Reforming of n-Heptane on Platimum - Rhenium Supported on Gamma-Alumina
M. Vadi M. Bazargani N. Astaneh M. Alipour -
Open Access Article
174 - NMR and Solvent Effect Study on the Active Site of Oxidized Azurin
K. Shahanipour T. Nejad Salari F. Mollaamin M. Monajjemi -
Open Access Article
175 - Sn (II) Ion- Selective Membrane Electrode based on Dibenzo-18-Crown-6
H. Aghaie M. Giahi1 Giahi M. Aghaei M. Arvand3 -
Open Access Article
176 - Kinetic Spectrophotometric Method for Determination of S032- Using Methylen blue
A. Mohammad Dehqan M. Reza Shishehbore N. Nasirizadeh -
Open Access Article
177 - Use of semi empirical method for determination of the activation energy of thermal decomposition of vinyl ethers
Behnaz Shahrokh Garnik Sargsyan -
Open Access Article
178 - Investigation of NMR Shielding Tensors of Para-Sulfonato-calix 141 arene Complexation with some of Alkali metal atoms
M. Sayadian L. Pishkar F. Mollaamin -
Open Access Article
179 - The effect of Environmental exposure to some chemical solvents on DPPC as important component of lung surfactant: an ab initio study
M. Monajjemi S. Afsharnezhad J. Yousefi M.R. Jaafari B. Honarparvar M. Mirsadraiee T. Abdolahi S. Ghadri A. Nikosade S.A. Badieeyan -
Open Access Article
180 - Theoretical Study of Drug Delivery Ability of Carbon INanotube
N. Dalill Mansour K. Zare A Elsagh -
Open Access Article
181 - Sorption stuck). of C.I. Acid Red 88 from aqueous solutions onto sawdust
N. Modirshahla M. A. Behnajady A. Shamel R. Eskandari -
Open Access Article
182 - Thermodynamics for complex of L-histidine with molybdenum (VI) Model Anticancer Drugs
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Open Access Article
183 - Influence of Dielectric Constant on Codon-Anticodon pairing in mRNA and tRNA triplets by Theoretical Studies: Hartree-Fock and Density Functional Theory Calculations.
M. Monajjemi M.H. Razavian F. Mollaamin F. Naderi H. Monajemi S. Saki R.A. Khavari-nejad K.Zare Zare A. Haddadi -
Open Access Article
184 - Complexation of alkali metal ions by totrapropary-monoamine and tetrabutoxytriamine utak] arenes
Noushin Osouleddini Karim Zare -
Open Access Article
185 - A Theoretical Study on the Aromaticity of 5-methylcytosine tautomers in the gas phase
H. Aghaie K. Zare E. Zahedi S.R. Emamian -
Open Access Article
186 - Ab initio study on the variation of stacking interactions of aniline and hydrated aniline systems
Shruti Sharma Bipul Bezbaruah -
Open Access Article
187 - Theoretical Study of Cr042- and Mo042- Interaction with Glysine via Comparing NMR, NBO and other chemical factors
Majid Monajjemi Roya Ahmadi K. Zare Elahe Rejaian -
Open Access Article
188 - Ab initio and DFT studies on tautomerism of 5-methyl cytosine in gaseous phase
K. Zare M. Monajjemi E. Zahedi H. Aghaie -
Open Access Article
189 - Chromium(III) ion selective electrode based on 2H-1,4-benzothioazine-2,3(4H)dione dioxime as a neutral carrier
M.H. Fekri M. Darvishpour E. Baghdar -
Open Access Article
190 - Fe (II) Ion-Selective Membrane Electrode based onTetra-Phenyl Porphyrin in PVC Matrix
N. Farahani H. Aghaie -
Open Access Article
191 - Physicochemical Properties of a Frolic Ionic Liquid: Ethylammonium Propionate
M. Sadri F. Sadeghzadeh Darabi S. Ahmadvand -
Open Access Article
192 - Ab initio study , Investigation of NMR ShieldingTensors and Vibrational frequency of 5-S-cysteinyldopamine
D.M Boghaei A. Bagheri -
Open Access Article
193 - Determination of Excited State Electric Dipole Moments and Polarizabilities of positional Isomeric Nitroaniline using Modified Abe Solvatochromic Model and Quantum Chemical Calculations
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Open Access Article
194 - Determination of Excited State Electric Dipole Moments and Polarizabilities of positional Isomeric Nitroaniline using Modified Abe Solvatochromic Model and Quantum Chemical Calculations
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Open Access Article
195 - Effect of Catalyst on the Growth of Diamond-like Carbon by HFCVD
M. Aghaie M. Ghoranneviss Z. Purrajabi -
Open Access Article
196 - Thermodynamic study of interaction between some transition metal ions and L-Alanine
H. Aghaie K. Zare F. Keshavarz Rezaei -
Open Access Article
197 - Response Surface Methodology for Removal of Methyl Violet Dye Using Albizia Stem Bark Lebbeck Modified by Fe2(MoO4)3 Nanocomposite from Industrial Wastewater
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Open Access Article
198 - A Density Functional Theory Study of Boron Nitride Nano-Ribbons
Mahmoud Mirzaei -
Open Access Article
199 - Solvent effects on protonation and complexation of histidine with molybdenum (VI) at different aqueous solutions of methanol
Farrokh Gharib Nayyer Farkhad-Aali -
Open Access Article
200 - Complexation of Bis(acetylacetonate)oxovanadium(IV) with D–penicillamine at neutral medium
R. Hakimelahi M.A. Seyed Sadjadi H. Aghaie M. Aghaie -
Open Access Article
201 - Theoretical study of Drug Delivery on Sn (CH3)2(N-acetyl-L-cysteinate) with SWCNT
A. Sobhanmanesh F. Mollaamin -
Open Access Article
202 - A model for modified electrode with carbon nanotube composites using percolation theory in fractal space
H. Baheri H. Aghaie -
Open Access Article
203 - Investigation of Solvent Effects on Temozolomide anticancer drug (TMZ); An al initio Study
F. Najafi L. Saedi F. Mollaamin H. Aghaie -
Open Access Article
204 - Thermodynamics, Solvents effects and 1H ,13C NMR Shielding :Theoretical studies of Adamantane
Z. Bayat M. Monajjemi -
Open Access Article
205 - Topological relationship between electric quadrupole, hexadecapole moments, energy and Padmakar–Ivan index in armchair polyhex nanotubes TUVC6[2p,q]
Majid Monajjemi Esmat Mohammadinasab Fatemeh Shafiei -
Open Access Article
206 - AB Initio Studies of Adsorption of Some Organic Inhibitors (Pyridine and Its derivatives) at the Aluminum Surface in hydrochloric acid (HCl).
F. Mollaamin M.R Gholami H. Yoosbashizadeh S.K Sadrnezhad -
Open Access Article
207 - Computation of the NMR Parameters of H-Capped (10,0) and (5,5) Single-Walled SiC Nanotubes
Goudarz M. Rouzbehani Temer S. Ahmadi Ahmed Seif -
Open Access Article
208 - Gyration Radius and Energy Study at Different Temperatures for Acetylcholine Receptor Protein in Gas Phase by Monte Carlo, Molecular and Langevin Dynamics Simulations
M. Monajjemi A. R. Oliaey -
Open Access Article
209 - Theoretical study of catalytic reduction of CO2 with H20 by BOC-MP method
B. Khezri K. Zare H. Aghaie -
Open Access Article
210 - Ionic Strength Dependence of Formation Constants: Complexation of Dioxouranium (VI) with Aspartic Acid
Farrokh Gharib Karim Zare Ramin Cheraghali -
Open Access Article
211 - Trace Amounts Determination of Vanadium (V) Using a New Kinetic-Catalytic Reaction System
M. R. Shishehbore R. Jokar H. Dashti Khavidaki -
Open Access Article
212 - Synthesis and investigation the thermal behavior thermodynamically of new metal Complex of Cobalt nitrate
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Open Access Article
213 - CATALYTIC REFORMING OF n-HEPTANE ON PLATINUM-TUNGSTEN SUPPORTED ON GAMMA-ALUMINA
M. Vadi A. Safavi A. Jamshidi -
Open Access Article
214 - An ab initio quantum chemical investigation of TOMS nmr SHIELDING TENSORS IN Adenine-thymine, Adenine-uracil, Guanine-Cytosine & uracil-quartet: comparison between theoretical and experimental results
H. Aghaie M. Monajjemi Gh. Ghassemi M. Kia -
Open Access Article
215 - A DFT study of interaction of folic acid drug on functionalized single-walled Carbon Nanotubes
Shahla Hamedani Hossein Aghaie Shahram Moradi -
Open Access Article
216 - Structural effects on the interactions of Pb(II) ion with Modified Banana Shell and Banana Shell during adsorption from aqueous solution
0. Moradi M. Yari K. Zare -
Open Access Article
217 - Thermodynamic study of Ion pairing in Aqueous solution of 〖BaF〗_2 by (_^19)F-NMR
H. Aghaie A. Aliabadi B. Sohrabi M. Aghaie M. R. Sohrabi -
Open Access Article
218 - Kinetic spectrophotometric determination of trace amounts of nitrite ion using potassium bromate-murexide mixture in acidic media
M.S Tehrani A. Parchehbaf -
Open Access Article
219 - Computational studies of carbon decorated boron nitride nanocones
A. Nouri M. Mirzaei M. Yousefi -
Open Access Article
220 - Energy study at different solvents for potassium Channel Protein by Monte Carlo, Molecular and Langevin Dynamics Simulations
F. Mollaamin T. Nejadsattari I. Layali -
Open Access Article
221 - An Ab Initio SCF-MO Study of Conformational Properties of (Z)- Cyclooctene
Issa Yavari Hassan Kabiri-Fard -
Open Access Article
222 - Poly zirconium chloride (PZC) as an efficient adsorbent for 99 MO
H. Salehi M. Zoghi M. Alimoradi A. Niazi H. Abbasi -
Open Access Article
223 - Thermal stability of a-Lactalbumin in the presence of various sugars as osmolytes
Zohreh Saadati Lida Asadi Samaneh Larki -
Open Access Article
224 - Theoretical and Conformational Study of Pinched-cone Interconversion in monosubstituted tri-methylsilyle ethynyl Derivative of Calix[4]arene
Saeed Taghavaei-Gangali Saeed Taghvaei-Gangali shahram moradi Kambiz Tahvildari -
Open Access Article
225 - NMR and NBO Calculation of Broccoli Calm: Nano Physical Parameter Study
M. Monajjemi M. Ahmadianarog -
Open Access Article
226 - Electronic effects on singlet-triplet energy splittings in aryl-cyclopentadienylidenes
M. Mahmodi Hashemi M. Mirzaei -
Open Access Article
227 - Complexation of Calcium and Barium Cations by Calix[4]arene-bis-crown-6
Poupak Khazaeli-Parsa Mehran Aghaie Karim Zare Azar Bouzaripour -
Open Access Article
228 - Ab initio interaction potential of methane and carbon dioxide: Calculation of second-virial coefficient
M. Aghaie F. Naderi A. Menatian -
Open Access Article
229 - Electrochemical Study of Encapsulated Heteropolyacids in Acidic Mordenite Zeolite
M. Arvand A. Islamnezhad M.A. Zanjanchi -
Open Access Article
230 - Theoretical Structural and Spectral Analyses of TEMPO Radical Derivatives of Fullerene
Fatih Ucun Serkan Kaya Halil Oturak -
Open Access Article
231 - Binding Data Analysis for Interaction of n- Alkyl Sulfates with Insulin
M. Keshavarz A.K Bordbar K Zare H. Aghaei -
Open Access Article
232 - Synthesis of Some New Azo Disperse Dyes and Investigation of Their Solvatochromic Effect
M. Yari S. Sedaghat M. Hekmati -
Open Access Article
233 - Determination of Activity and Selectivity of n-Heptane by Reforming Catalytic Pt-V Supported on gamma-Alumina
Mahdi Vadi Najimeh Astaneh -
Open Access Article
234 - An Ab Initio SCF-MO Study of Conformational Properties of Cyclodeca-1,2,3-triene
Issa Yavari Hassan Kabiri-Fard -
Open Access Article
235 - Spectrophotometric Determination of Protonation Constants of T ry p to ph an at Different Ionic Strengths and Various Ionic Media
Al' Shamel Masumeh Asgharian Farrokh Gitarib -
Open Access Article
236 - Catalytic Determination of Traces of Tellurium (IV) Using the Reduction of Lauth’s Violet with Sodium Sulfide
Masoumeh Tabatabaee Manoucher Esmaiilzadeh -
Open Access Article
237 - The Study of Salvation Effects on an Anticancer Drug; Dammarane sapogenins
M. Hooshyari F. Naderi M. Yari M. Khaleghian M. Monajjem -
Open Access Article
238 - Fluorescent Method for Determination of residue toxic Insecticide Abamectin Using PbS Quantum Dots-Based Gelatin in Water Samples
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Open Access Article
239 - Evaluation of two different extraction techniques on determination of 〖Pb〗^(+2) contents of wastes of dye manufacturing industries
Maiid Mohammadhosseini Karim Zare Mohammad Saber Tehrani -
Open Access Article
240 - Ab Initio Quantum Chemical Studies of 15N and 13C NMR Shielding Tensors in Serine and Complexes of Serine- nH2O: Investigation on Strength of the CαH…O Hydrogen bonding in the Amino Acid Residue.
M. Monajjemi T. Karimkeshteh F. Mollaamin -
Open Access Article
241 - Structural investigation of complexes formed by DNA+CTAB and DNA+DDAB and Designing a method to increase salt ions between DNA and the Surfactant rods.
E. Moniri F. Gharib M. Monajjemi K. Zare -
Open Access Article
242 - Manganese (M-selective PVC membrane electrode based on N-(2- picolinamido ethyl)-Picolinamide as ionophore
M. Zawari M. Giahi H. Aghaie -
Open Access Article
243 - Experimental and theoretical studies on efficient regeneration of carbonyl compounds from oximes under green, mild and completely heterogeneous nanocatalysis
Gh.R. Najafi M. Saffari M. Masteri-Farahani F. Mollaamin -
Open Access Article
244 - Selective Membrane Electrode for Bromide Ion Based on Aza Pyrilium Ion Derivative as a new Ionophore.
Hossein Aghaie Karim Zare Ali Reza Abedin Mehran Aghaie -
Open Access Article
245 - Thermodynamic study of interaction between phthalocyanines with calf thymus DNA
M. Aghaie F. Naderi M. Monajjemi H. Aghaie N. Safari P.R. Jamaat -
Open Access Article
246 - Kinetic modeling on photo oxidative degradation of C.I acid yellow 23 by UV/H_2 O_2 process
N. Modirshahla M.A. Behnaiady Z. Gazi Tabatabaie -
Open Access Article
247 - High level Ab inito bench mark computaions on weak interactions (H2)2 dimer revisited
G.H. Shafiee A. Sadjadi Seik Weng Ng -
Open Access Article
248 - The chaperone ability comparison of norma II-casein and modified d-casein upon interaction with lysozinie
H. Rajabzadeh D. Nourouzian K. Zare F. Mollaamin -
Open Access Article
249 - Deinking of Laser Printed Copy Paper by Chemical Different Treatments and Effect on Optical and Strength Properties of Paper
A.A. Salari M. Ghasemi Kochameshgi A. Aminifar -
Open Access Article
250 - Purification and Characterization of Milk Clotting Enzyme Produced by Rhizomucor Rmiehei
Sh. Khalil Moghaddam M. Khaleghian F. Naderi M. Azin M. Monajjemi -
Open Access Article
251 - Dielectric Constant and Solvent Effect Investigafion on Listeria monoeytogenes In1B-13- sheet Conformation: an Al. initio-NMR study
E. Shirkhodaee Tari M. Monajjemi -
Open Access Article
252 - Thermodynamic of Interaction between Some Water-Soluble Porphyrins and DNA by Titration Microcalorimetry
M. Keshavarz K. Zare M. Akbarzadeh M.R khoshchehreh A.F.B Mahdavi -
Open Access Article
253 - Investigation on the effect of trifluoromethyl group on the [3+2] cycloadditions of thiocarbonyl S-methanides with α, β-unsaturated ketones: A theoretical study using DFT
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Open Access Article
254 - Spectrophotometric Determination of Hg2+ after Solid Phase Extraction on Microcrystalline Naphthalene
M. Reza Shishehbore Navid Nasirizadeh A. Mohammad Akhoundi -
Open Access Article
255 - Quantitative structure—retention relationship analysis of nanoparticle compounds
H. Noorizadeh A. Farmany -
Open Access Article
256 - The comparison synthesis of CuNiO2 nanoparticles prepared by sol-gel auto-combu on, microwave and co-precipitation techniques
S. A. Khorrami N. Naderfa M. G. G Mojadad -
Open Access Article
257 - Studies of Hydrogen Bonding Effects on DiPalmitoyl Phosphatidyl Etanolamine (DPPE) by theoretical Methods
A. Nouri M. Monajjemi -
Open Access Article
258 - Photocatalytic degradation of Lidocaine HCl using CuO/ZnO nanoparticles
N. Badalpoor M. Giahi S. Habibi -
Open Access Article
259 - Ionic str4ength dependence of formation constants, complexation of Glycine with dioxouranium (VI) Ion
Farrokh Gharib Ali Shamel Farbod Lotfi -
Open Access Article
260 - Determination of water quality parameters and nutrient level with an Adaptive Neuro- Fuzzy Inference System
Maryam Hosseini Jalal Javadi moghaddam -
Open Access Article
261 - Stability Constants of Dioxy Vanadium(V)-Glycylglycine System and a Related Calculating Model
M. Aghaie H. Aghaie K. Zare -
Open Access Article
262 - Ab initio study of the second virial coefficient protein — protein on the basis of intermolecular potential energy surface
K. Zare M. Khaleghian H. Monajemi M. Monajjemi -
Open Access Article
263 - Role of activated carbon from natural adsorbent for removal of textile dyes: effect of pH, kinetic and adsorbent mass
Ameneh Khorsand Reza Fazaeli Mahboobeh Manoochehri -
Open Access Article
264 - Physical adsorption between mono and diatomic gases inside of Carbon nanotube with respect to potential energy
B. Esfandiari M. Monajjemi -
Open Access Article
265 - Investingation and Chemisorption study of Oxygen Atoms and Cr (100) surface by DFT calculation
A. Kazemi Babaheydari K. Zare F. Mollaamin -
Open Access Article
266 - Comparison of adsorptions of phenol,p-nitrophenol and 1-butanol on the activated carbon
Gholam-Hossein Naficy Seyed, Saeed Reza Emamian -
Open Access Article
267 - Equilibrium Constants of the Complexation of Molybdate Ion with para-Sulfonatocalix [4] arene in aqueous media
S. Z. Hashemizade Ali Farajtabar -
Open Access Article
268 - Investigation of Solvent Effect on CUA Codon Mutation: NMR Shielding Study
S. Irani M. Monajjemi S.M Atyabi M. Sadegizadeh M. Heshmat T. Nejadsattari -
Open Access Article
269 - CO Adsorption on the V (100) Surface: A Density Functional Study
F. Mollaamin M.T. Baei A. Kazemi Babaheydari -
Open Access Article
270 - A simulation study of calcium release channel
M. Monajjemi H.H. Haeri S.M. Hashemianzadeh M. Gholami K. Zare -
Open Access Article
271 - Ab initio study & Density functional investigational of Adenine & Thymine; Comparison of primitive Gaussian and NBO calculation
F. Assadian F. Bandarchian GH. Ghasemi -
Open Access Article
272 - A Facile Catalytic- Kinetic Method for The Determination of Selenium (IV)
Masoumeh Tabatabaee -
Open Access Article
273 - Kinetics and Mechanism of Oxidation of n-Pentanol by Tetramethylammonium Fluorochromate
Ali Shamel Farrokh Gharib -
Open Access Article
274 - Application of the Freundlich Langmuir Temkin and Harkins-Jura adsorption isotherms for some amino acids and amino acids complexation with manganese kn(ll) on carbon nanolube
Mehdi Vadi Marjan Abbasi Marjan Zakeri Bita Jafari Yazdi -
Open Access Article
275 - Kinetic and thermodynamic studies of adsorption of 4-chloro-2-nitrophenol on nano- Ti02
A. Mehrizad K. Zare H. Dashti Khavidaki S. Dastmalchi H. Aghaie P. Gharbani -
Open Access Article
276 - Theoretical Investigation of Solvent Effects on The Structural Changes of I - Pentadeeanoyl - 2 - Docosahexaenoyl - Sn - Glycerol -3 -Phosphoeholin
N. Khodayari B. Honarparvar M. Monajjemi K. Parivar -
Open Access Article
277 - AB INITIO QUANTUM CHEMICAL STUDIES IN CTAB
F. Naderi M. Monajjemi M. Yari K. Bakhshi -
Open Access Article
278 - SYNTHESIS, X-RAY CRYSTAL STRUCTURE AND IR STUDY OF NEW TRINUCLEAR, BASE CARBOXSYLATE COMPLEX OF [Cu3O(OAc)6(H2O)3]Cl.CH3OH.6H2O
Massoud Rafizadeh -
Open Access Article
279 - A new method for Eosin preparation and examination of its absorption and emission spectra
F. Yazdanparast M. Rabbani -
Open Access Article
280 - Density Functional Theory Studies of Defects in the (5,5) Silicon Nanotube
M. Ilkhani M. Mirzaei -
Open Access Article
281 - DFT Study of 1H-tetrazolyl derivatives of tetrahedrane
Mehdi Nabati Mehrdad Mahkam -
Open Access Article
282 - Preparation and Evaluation of NiFe204 and CuFe204 Nanoeatalysts by Combination of Sol- Gel Auto-Combustion Method and Irradiation Technique
S. A. Khorrami S. A. Sepehr S. Manie G. Mahmoudzadeh S. Madani S. Moradi A. M. Sharif F. Gharib R. Lotfi -
Open Access Article
283 - A Theoretical Investigation of Kinetics and Mechanism of Aza-Cope Rearrangement
M. R Zardoost S. A. Radati H. Davoudi M. R. Gholami H. Aghaei -
Open Access Article
284 - Thermodynamics of the solubility of potassium nitrate in the mixed solvent, Ethanol+Water, and the related Ion-association
M. Aghaie F. Ghaemi Amiri M. Giahi -
Open Access Article
285 - Structural characterization of Ba1.„Sr„TiO3 (BST) nanopowders prepared by stearic acid gel method
K. Zare M. Enhessari S. Khanahmadzadeh H. Mossallaea M. S. Sadjadi -
Open Access Article
286 - Heavy Metals (Cr (VI), Cd (II) and Pb (II)) Ions Removal by Modified Jute: Characterization and Modeling
M. Yari M. A. Mohsen F. Khojasteh O. Moradi -
Open Access Article
287 - Rationalizing the Strength of Hydrogen-Bonded of Molybdate-Phosphonic acid Complex (1:2): Density Functional Theory Studies
Mohammad Hossein Ghorbani Hossein Aghaei -
Open Access Article
288 - Theoretical study of tetrahedrane derivatives
Mehdi Nabati Mehrdad Mahkam Yaser Gholizade Atani -
Open Access Article
289 - Preparation and Application of Al3+ - Sensor Based On (2Z) — Methyl 2 — ((z) (p-tolylimino) -3-Ethyl —4-0xothiazolidin —5— Ylidene Acetate in PVC Matrix
J. Mofidi A. Islamnezhad F. Pour Hojat -
Open Access Article
290 - Thermodynamics of Ion Association in the Saturated Solution of The Mixed Solvent (methanol+water) and Ion Pairing at 25.0°C
M. Aghaie S. Moradian -
Open Access Article
291 - Study of Catalyst and Co- Catalyst Effect on Preparation of Lubricant from Heavy Propylene Tetramer (HPT)
Omid Moradi Mohammad Yari S. Sedaghat -
Open Access Article
292 - Quantum Mechanics-Molecular Mechanics Model Study of some Antibiotics and Vitamins in Gas Phases: Investigation of Energy and NMR Chemical Shift
M. Monajjemi M. Aghaie M. Heshmat -
Open Access Article
293 - Kinetic and thermodynamic study of substituent effect on the Claisen rearrangement of para-substituted SI aryl ether: a Hammett study via DFT
S. R. Emamian M. R. Zardoost K. Zare E. Zahedi H. Aghaie -
Open Access Article
294 - Plane-wave Pseuclopotential Density Functional Theory periodic Slab Calculations of NO Adsorption on Co(111) Surface
F. Khazali M. Gholami K. Zare -
Open Access Article
295 - Determining the Characteristics of Biodiesel from a Mixture of Crop Mustard and Edible Waste Oil using heterogeneous Calcium Oxide Catalyst Prepared from Fish bones and Predicting the Efficiency of Biodiesel using Taguchi Statistical Program Model
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296 - Removal Studies of Methyl Orange Dye Using Ricinus Communis-capeed Fe3O4NPs from Aqueous Solutions
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297 - Electrochemical Synthesis of 5-Aminosalicylic Acid from 5- Nitrosalicylic Acid in Alkaline Media
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298 - Adsorption of Carbon Monoxide on a (6, 6) Armchair Carbon Nanotube: Ab initio Study
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299 - Synthesis of TiO2 nanoparticles in pure 2-hydroxyethylammonium formate room temperature ionic liquid and investigation of its photocatalytic properties
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300 - Effects of solvents polarity parameters on heterogeneous catalytic hydrogenation of cyclohexene in molecular solvents
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301 - N-phenylaza-15-crown-5 as Ionophore in PVC-Matrix for Fe2+ - Selective Sensor
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302 - Transesterification of trimethylphosphate catalyzed by sodium aloxides
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303 - AB Initio Study of Molecular Struture, Energetic and Vibrational Spectra of (GaN)4 Nanosemiconductor
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304 - Thermodynamic Study on the Interaction between Fe2+(aq) ion and LAlanine
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305 - Destruction of Amylopectin in the Presence and Absence of TiO2 Nanoparticles
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306 - Thermodynamic Study and Total Energy Calculation for three systems of Enol↔Keto Tautomerism
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307 - Investigation of Solvent Effects on Interaction of Single-Strand DNA with Open-End of Single Walled Carbon Nanotubes Using QM and MM methods
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308 - Quantitative Correlation of Randić Indices and Adjacency Matrixes With Dewar Resonance Energy of Annulene Compounds
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309 - Theoretical study of molecular mechanics methods on clonidine drug-carbon nano cone
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310 - Application of Graph Theory to Some Thermodynamic Properties and Topological Indices
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311 - A Theoretical Study of the Stability and Dielectric Constants of Molybdate-Phosphonic Acid Complex
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312 - Nano Theoretical Study of NMR Shielding Tensors on Ginger Plant
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313 - Solvent Effects on Tautomeric and Microscopic Protonation Constants of Glycine in Different Aqueous Solutions of 1,4-Dioxane
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314 - Platinum Nanoparticles Deposited on Oxygen-Containing Functional Groups at Carbon Vulcane XC-72 as a Cathode Catalyst for Direct Methanol Fuel Cell
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315 - Interaction of Pyrene with Human Serum Albumin (HSA): A Ilv-Vis Spectroscopy Study
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316 - Adsorption of Pyrazolone[HPMSP1,Calix[4]-arene, Cu(II) and Cs on Carbon Nanotube
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317 - A Density Functional Theory Study of Structure of Phosphonic Acid
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318 - Thermodynamic Studies on the Interaction of Phthalocyanine with Bovine serum albumin
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319 - Characterization of Carbon Nanotube (CNT) in Adsorption Gas: Monte Carlo and Langevin Dynamic Simulation
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320 - Rapid Determination of Chromium (M)lli Natural Water and Industrial Effluents Using Kinetic Speetrophotometric Method
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321 - Thermodynamic Analysis for Cationic Surfactants Binding to Bovine Serum Albumin
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322 - Molecular Modeling Studies on Vinblastine Binding Site of Tubulin for Antimitotic agents
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323 - Efficient one-pot synthesis and characterization of 13-Acetyl-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo [7.3.1.0^2,7] trideca-2,4,6-triene
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324 - The pH effect on complexation of Alkali metal cation by p-sulfonatocalix (4) arene in aqueous solution
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325 - Thermodynamics of Non-Ideality and Ion-Association in Saturated Aqueous Solution of Barium Nitrate at 25° C
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326 - Chromium (III) ion selective electrode based on di(benzylamino)glyoxime
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327 - Theoretical investigation of Malva sylvestris L. in point of Nano Bio Technology
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328 - A Theoretical Study on Interaction between Nitrobenzene and Carbon Nanotube (A DFT approach)
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329 - Non- Ideality and Ion-Pairing in Saturated Aqueous Solution of Lithium Carbonate at 25°C
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330 - Inyestigafion of H2 Adsorption on Grapheme by DFT Methods
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331 - Nanoparficks of Silver loaded on polyanilino and Nylon
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332 - Alternations of Antioxidant Activity in Saliva in Smokers
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333 - Investigation kinetic oxidation of PS by K2S2O8 and AgNO3 catalyst
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334 - Spectrophotometric Studies ot Vanadium(III) Ion Complexes th p-Sulfonatocalixf 41 acme In Aqueous Solution
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335 - QTAIM study of Bonding and Structure of Pure Atomic Clusters,Part III : Nn Clusters (n= 4,6)
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336 - Copper Nanoparticles as efficient catalyst for the transesterification of p -ketoesters
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337 - Synthesis, Characterization, and Crystal Structure Determination of Iron(III) Hetero-ligand Complex Containing Chloride, Dimethyl sulfoxide, pyridine-2, 6-dicarboxylate and Water, [Fe(Pydc)(DMSO)(H2O)Cl]
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338 - Theoretical study of intermolecular potential energy and second virial coefficient in the mixtures of CH4 and H2CO gases
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339 - Solvent Effects on Complexation of Dioxovanadium (V) with Glycine in Methanol-Water Mixtures
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340 - Basis Set Effects in Density Functional Calculations and BSSEcorrected on the Molybdate-Phosphonic acid Complex
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341 - ACTIVATION PARAMETERS AND RELATION OF ACTIVATION ENTROPY WITH SOLVENT POLARITY IN THERMAL REARRANGEMENT OF 7,7-DICHLORO-[a,c]- DIBENZO-[4,1,0]-BICYCLOHEPTANE
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342 - The effect of dielectric constant and ionic strength on the solubility of lithium carbonate at 25.0 °C in thermodynamic view
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343 - Comparative analysis of chemical and thermal denatured 13-lactoglobu1in A in the presence of sugar osmolytes
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344 - The Solvent Effects on Relative Stability of allolybdatc-Phosphonic Acid Complex: A Theoretical Study
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345 - Photocatalytic Degradation of Triton X-100 by Zinc oxide Nanoparticles
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346 - Investigation of chemical adsorption of CO, CO2, [12 and NO molecules on inside and outside of single-wall nanotube using HF and DET calculations
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347 - The effect of polar copolymers in protein absorption on contact lenses on 2-Hydroxyethyl methacrylate(HEMA)
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348 - The evaluation of basis set, method and initial geometry on structural properties of a cyclic phosphor amidate compound by SPSS
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349 - Doping finite-length carbon and boron nitride nanotubes with aluminium atom: A thermodynamic semiempirical investigation
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350 - Investigating the Effects of Molecular Oxygen Impurity on the Quadrupole Coupling Constants of Boron Nitride Nanotubes: Computational Studies
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351 - Quantum Theoretical studies of Nanostructures onto Hydrogen Adsorption on V-surface
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352 - Organic Light Emitting Diodes: Innovative Lighting and Display Solution
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353 - Physicochemical study on some cycloltexa peptide nano rings at body normal temperature; novel biodegradable and biocompadble vectors in drug delivery
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354 - Synthesis of carbon nano structures on Fe/Cu/AI and Al/Steel by thermal chemical vapour deposition method
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355 - Comparison Studies on Complexation of Molybdenum(VI) with Aspartic Acid And Glutamic Acid in Different Dielectric Constants1
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356 - Experimental study of the results of adding alumina nanoparticles on viscosity and thermal conductivity of water and ethanol nanofluids
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357 - Investigation of Activity and Selectivity of n-Heptane by Reforming Pt-Ta Catalyst Supported on y-Alumina
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358 - Ab initio and charge study of phospholipids in gas phase and solution
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359 - The hydrothermal synthesis and X-ray crystal structure of Ag (1)-4, 4"-bipyridine-based coordination polymer
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360 - Quantum Chemistry Study & Evaluation of Basis Set Effects on Prediction of Amino Acids Properties:
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361 - The Solubility of Potassium Sulfate in Thermodynamic view
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362 - New Synthesis of Polyaniline using a Peroxides Enzyme
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364 - Photochemical Studies on Degradation of Cetyl Pyridinium Chloride (Cationic Surfactant) in Aqueous Phase Using Different Photocatalysts
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365 - Theoretical study of hydrogen bond effects on Diphenylphosphorylazide
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366 - Determination of the stability constant of Cobalt (ІІ) – Piroxicam complex by spectrophotometery
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367 - Study of Photooxidative Degradation of Reactive Dyes from Aqueous Solutions by UV/ C102 Process
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368 - Ab initio potential energy surface and second virial coefficient for Asp-His-Ser trimer
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369 - Drug Delivery study of Tamoxifea with Single Walled Carbon Nanotobes
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370 - Theoretical Study of electronic Structure of [CoF6]3" Complex embedded in Nano-Ring
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371 - Excited-State Parameters of One Intramolecular Cyclization by TD-DFT, CIS and ZINDO Methods
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372 - Theoretical and Structural Relationship Study of Electrochemical Properties of p- Sulfonated Calix[Slarene Macrocycles with Fullerenes as lp-Sulfonated Calliplarenesi@iCsl Supramolecular Complexes
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373 - Topological Relationship Between Wiener Index in contrast to the Energy and Electric Moments in TUVC6I2p, ill with Same Circumference and Various Lengths
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374 - Theoretical thermodynamic study of Pyrazole in the gas phase at the different temperatures
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375 - Synthesis, Characterization, and Crystal Structure of a New Coordination Polymer, {[Ba2(Hpydc)2(pydc)(H20)31.H20.(112P3110}n
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376 - Free Energies of Electron Transfer, Electrochemical Properties, Electron Transfer Kinetic Theoretical and Quantitative Structural Relationship Studies of Cn@X-[HbA] (HbA=Hemoglobin A; X= - and -Fumarate Crosslinked Hemoglobins (XL & XL)) Nanostructure Complexes
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377 - Physicochemical Characteristics and Biomedical Applications of Hydrogels: A Review
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378 - A Study of Highly-Efficient Quantum Dot based Solar Cells
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379 - Adsorption Study of the Lysozyme from aqueous solution onto Hydroxyapatite Nanopowders
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380 - photocatalytic degradation of Triton X-100 in aqueous phase with Zinc oxide as a nanoparticle under UV light irradiation
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381 - Interaction of Phthalocyanine with Egg albumin and Bovine serum albumin
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382 - Interaction of alanine with lithium. I- the alanine–Li -n (H20) n (0–2) complexes
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383 - A Theoretical Study on Dopamine: Geometry, energies and NMR
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384 - Cu(II) Ion- Selective Membrane Electrode Based on bis(N-salicylidene-3,3'-diamino diphenyl) sulfone
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385 - Modeling Investigation of Dielectric Constant Effect on NMR and IR Properties of C48 as a Single Walled Carbon Nanotube
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386 - Complexation of L-arginine and L-lysine by p-sulphonatocalix (61 arene in aqueous solution at different temperatures
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387 - Synthesis of Polyaniline/Polyamide composites as membrane and investigation of its properties
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388 - pH Dependence Study of the Kinetic Reaction of Bovine Carbonic Anhydrase with 2,2'-Dithiobispyridine in the Absence and Presence of Surfactants
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390 - Study on the Interaction of Dioxovanadium(V) with Nitrilotriacetic Acid at Different Ionic Strengths by Using Extended Debye-Hiickel Equation
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391 - Thermodynamic study of lead ion removal by adsorption onto nanographene sheets
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392 - Nitromethane - Methyl Nitrite Rearrangement: The Seising of Discrepancy between Theory and Experiment
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394 - Investigation of Different Solvents and Temperatures Effects on (3,7) Single-Walled Carbon Nanotubes: DFT Study
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395 - Investigation of Water Cluster ((H2O)n , n = 2-6) in Aspect of Structures, Energies and Thermodynamic Properties by Ab Initio methods
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396 - The kinetic parameters of drug compounds adsorption onto mesoporous materials
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397 - Classical DFT Study on Atomic Electronegativity
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399 - The Effect of Hydrogen Bonding and π–π Stacking to Stabilization of 3D Networks of a New Proton Compound, (a-6-mpyH)(Hpyzd) H2O
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400 - Ab initio study of the structural, mechanical and thermal properties of (B, Al and Ga)-N nanotubes (4,0)
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401 - Computational Study of Drug Pimagedine on Carbon Nanotubes (8,0) by DFT Method
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402 - A theoretical study on methamphetamine: geometry, energies, NMR and NBO
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403 - Removal of Cadmium Using a Novel Nano Composite, Silica Aerogel, Activated Carbon
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406 - Removal of methylene blue dye by application of polyaniline nano composite from aqueous solutions
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407 - Singlet-Triplet Energy Splitting of Divalent Five-Membered Ring NI2C2H2C (M = N,P, As and Sb)
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408 - Investigation of substrate properties of non-woven polyester textiles using nano-urea
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409 - DFT Study of Hydrogen Bonding on Calix[8]arene as Nanostructure Compound
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410 - Determination Functional Theory Investigation of Polyphenolic Compounds Reactions: NMR study
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411 - Kinetics and mechanism of intramolecular Cyelization of (R)-undeca-7,8-dien-2-yne "a OFT study
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412 - Experimental modeling of the adsorption kinetics of Cd (II) and Pb (II) ions by Calix [4] arene surface
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413 - Study on the Optical and Rheological properties of polymer- layered Silicate Nanocomposites
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414 - A Comparative DFT Study on Structural and Electronic Properties of C24 and Some of Its Derivatives: C12B6N6, B6N6C12 and B12N12
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415 - Theoretical study of structure spectral properties of Tacrine as Alzheimer drug
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416 - Evaluating the optimum molar ratio of Mn2+/Co2+ and mass percent of Al2O3 for preparing a catalyst for secondary alcohol oxidation
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420 - DFT and HF Studies: Geometry, Hydrogen Bonding, Vibrational Frequencies and Electronic Properties of Enaminones and Their Complexes with Transition Metals
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421 - Solvent Effect Study on the Stability Energies of Glycine, Alanine and Valine Amino Acides
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422 - Computational Investigation on Alcohol Nano Sensors in Combination with Carbon Nanotube; A Monte Carlo and Ab Initio Simulation
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424 - Theoretical study of solvent effect on NMR shielding for Pyrazole and Pyrazoline
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427 - Density Functional Theory Study of B6C4Si Cluster as a Novel Drug Carrier
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428 - A Monte Carlo simulation study of vinblastine and vincristine as clinical drugs
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431 - A computational investigation on NMR Characterization and electronic properties of some zigzag nanotubes
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