List of Articles calculation

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  1 - Highly Energy-Efficient and Small-Area Single-Bit Approximate GDI-Based Subtractor for Dividers' Implementation
  Fatemeh  Pooladi Farshad Pesaran nabiallah شیری
• Open Access Article
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  2 - Theoretical analysis and intensity calculation for the f → d absorption spectrum of Ce3+ in YAl3(BO3)4 crystal
  Imen Kebaïli Mohamed Dammak
  10.1186/2251-7235-6-21
• Open Access Article
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  3 - Mechanical properties of CaN, SrN, and BaN compounds by density functional theory
  Homa Sadat Sharifzadeh Sima Sadat Sharifzadeh Faramarz Kanjouri Amirhosein Esmailian
  10.1186/2251-7235-7-16
• Open Access Article
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  4 - Semiempirical investigations on the stabilization energies and ionic hydrogen-bonded structures of F−(H2O)n and Cl−(H2O)n (n = 1–4) clusters
  Qi Wang Kimichi Suzuki Umpei Nagashima Masanori Tachikawa Shiwei Yan
  10.1186/2251-7235-7-7
• Open Access Article
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  5 - Experimental and theoretical study on the corrosion resistance of Zr–Co–Al–Nb metallic glasses
  W. K. Le Z. Z. Yuan X. Y. Zhang
  10.1007/s40094-016-0234-8
• Open Access Article
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  6 - Metallic and semi-conducting resistivity behaviour of La0.7Ca0.3−xKxMnO3 (x = 0.05, 0.1) manganites
  Dinesh Varshney Neha Dodiya
  10.1007/s40094-014-0159-z
• Open Access Article
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  7 - Calculating the upper limit of calculation speed and complexity growth rate using the mathematical method of disturbance theory
  hossein bagheri Mohammadreza Tanhayi
• Open Access Article
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  8 - 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
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  9 - 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
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  10 - 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
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  11 - Theoretical structural analysis of 3-CHLORO-4-FLUORO-ANILINE.
  Muhammad Aziz Sohail Nadeem Muhammad Anwar
• Open Access Article
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  12 - Theoretical Thermodynamic Study of Arginine and Lysine Amino Acids at different Solvents
  farideh Keshavarz Rezaei
• Open Access Article
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  13 - Computational Design and Synthesis of Molecular Imprinted Polymers for solid-phase Extraction of Acyclovir
  gholamali haghdoost
  10.30495/jptc.2023.70690.1246
• Open Access Article
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  14 - 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
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  15 - 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
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  16 - NBO Analysis of Structural and Electronic Properties in B30N20
  Rahim Esmkhani Majid Monajjemi
• Open Access Article
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  17 - 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
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  18 - AB Initio Calculations of NMR Spectra for H20114C9N4 As A New Nanosemiconductor Molecule
  E. Pournamdari M. Monajjemi
• Open Access Article
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  19 - 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
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  20 - 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
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  21 - Cyeloaddition Reactions Between C30 and Huta- 1,3 -diene An ab initio Study
  Seeid Abedini Khorrami Shahram Moradi Hajar Mohammadzadeh Bahar
• Open Access Article
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  22 - An Ab Initio SCF-MO Study of Conformational Properties of (Z)- Cyclooctene
  Issa Yavari Hassan Kabiri-Fard
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  23 - 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
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  24 - Quantitative Correlation of Randić Indices and Adjacency Matrixes With Dewar Resonance Energy of Annulene Compounds
  A. Taherpour F. Shafiee
• Open Access Article
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  25 - Quantum Chemistry Study & Evaluation of Basis Set Effects on Prediction of Amino Acids Properties:
  M. Monajjemi M. Karimkhan M. R. Gholami A. Ziglari K. Zare S. Afsharnezhad
• Open Access Article
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  26 - Theoretical thermodynamic study of Pyrazole in the gas phase at the different temperatures
  Farideh Keshavarz Rezaei
• Open Access Article
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  27 - An ab initio study of metalated CMP,UMP& dTMP at HF level:Bond energies and isotropic NMR shielding of atoms
  M.A Seyed Sajjadi R. Sayadi G. Ghasem KH. Kalateh
• Open Access Article
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  28 - Solvent Effect Study on the Stability Energies of Glycine, Alanine and Valine Amino Acides
  F. Keshavarz Rezaei A. Taherpour M. Aghaie
• Open Access Article
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  29 - Quantum Chemical Modeling of 2-(Cyclohexylamino)-2-oxo-1-(quinolin-4-yl)ethyl 4-Chlorobenzoate: Molecular Structure, Spectroscopic (FT-IR, NMR, UV) Investigations, FMO, MEP and NBO Analysis Based on HF and DFT Calculations
  Mehdi Nouri Angoran Ali Ramazani Masoome Sheikhi
• Open Access Article
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  30 - Theoretical Study of the Solvent Effect on the Stability Energies of Pyrazole and Pyrazoline
  Farideh Keshavarz Rezaei
• Open Access Article
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  31 - Quantum-chemical modeling of the stacking mechanism for the 1H-4H proton transfer in pyridine derivatives. A DFT study
  Jumber Kereselidze Marine Kvaraia George Mikuchadze
• Open Access Article
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  32 - Theoretical Thermodynamic Study of Solvent Effects on Serine and Threonine Amino Acids at Different Temperatures
  Farideh Keshavarz Rezaei
• Open Access Article
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  33 - The Impact of Duty to Mitigation of Damage on the Concrete Method Calculation of Damages in the International Sale of Goods and its comparative study of Iran’s Law
  ALI AGHAYARI Masood Reza Ranjbar Mostafa Mandegar Seyed Hekmat Olah Askari
  10.30495/jisds.2007.21290
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  34 - Quran’s view on blood money (Diyah) and its calculation in the current era
  Mahmood Aghajani Nadali Ashouri Ahmad Abedini Mohamad Ali Heydari
• Open Access Article
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  35 - Electronic Structure and Properties of Anticancer Active Molecule Ansa-titanocene Dichloride
  Reza Ghiasi Mozhdeh Shabani
• Open Access Article
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  36 - Quantum Mechanical Study of the Structure, NBO and HOMO–LUMO Analysis of Molecule Oxaliplatinium
  Reza Ghiasi Nooshin Parseh
• Open Access Article
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  37 - Solvent Effect on the Molecular Structure, Chemical Reactivity and Spectroscopy Properties of Z-Ligustilide: A Main Active Component of Multitude Umbelliferae Medicinal Plants
  Mahmoud Osanloo Reza Ghiasi
• Open Access Article
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  38 - A QSAR Study of 2-carboxamide-1,4-di-N-oxide quinoxaline Derivatives
  Mohamad Reza Talei Bavil Olyai Hadi Behzadi Payman Roonasi Khaton Taghipour
• Open Access Article
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  39 - [n]Sila-acenes (n=2-4): The Influence of Ring Size on the Properties
  Hossein Ghiasi Reza Ghiasi
• Open Access Article
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  40 - New Pt(II) Complexes with Heterocyclic Ligands Derived from Benzimidazole: Synthesis, Characterization, DFT Calculations and Catalytic Activities
  Parisa Sadeghzadeh Mehdi Pordel Safar Ali Beyramabadi Abolghasem Davoodnia
• Open Access Article
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  41 - Synthesis and application of core-shell magnetic molecularly imprinted polymer for the selective extraction of metronidazole from biological fluids: Isotherms and kinetic
  Raheleh Sanjari maryam kazemipour mehdi ansari leila zeidabadinejad
  10.30495/qafj.2022.1965857.1036
• Open Access Article
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  42 - Normative calculation of mineral composition in Cr ores of the ophiolite complexes from SE Iran
  Jamal Tarrah
• Open Access Article
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  43 - conformational properties and the anomeric effect study of phosphinanes
  Javad Azizian Mahdieh Entezari Hossein Anaraki Ardakani Shahab Zomorodbakhsh
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  44 - Theoretical study of conformational properties and the anomeric effect study of the 2- phosphinanes
  Javad Azizian Hossein Anaraki Ardakani Shahab Zomorodbakhsh
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  45 - Theoretical study of conformational properties and the anomeric effect study of the 2- phosphinanes
  Javad Azizian Mahdieh Entezari Hossein Anaraki Ardakanib Shahab Zomorrodbakhsh
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  46 - An overview of Algorithms on Integer Calculation
  mosa hajipoor
• Open Access Article
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  47 - The Effect of Self-monitoring of Attention Training on Mathematical Problem Solving of Elementary Male Students with a Learning Disability in Math
  Fatemeh Seyyedi Rahim Badri
• Open Access Article
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  48 - Malmquist productivity index to measure progression and regression in the network and its application to study at a university School
  Morteza Azarbad Farhad Hosin zadeh
• Open Access Article
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  49 - Theoretical insights into the encapsulation of anticancer Oxaliplatin drug into single walled carbon nanotubes
  Mahyar Rezvani Iran Ahmadnezhad Masoud Darvish Ganji Maria Fotukian
  10.22034/jna.2016.03.001
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  50 - Fluorouracil functionalized Pt-doped carbon nanotube as drug delivery nanocarrier for anticarcinogenic drug: a B3LYP-D3 study
  Zahra Khalili Masoud Darvish Ganji Maryam Mehdizadeh
  10.22034/jna.2018.543692
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  51 - Robust Anti-Windup Control Design for PID Controllers–Theory and Experimental Verification
  Payam Kheirkhahan
• Open Access Article
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  52 - Development of a two-stage method based on optimization algorithms and smart calculation methods in structural damage detection
  Behrouz Safa Asghar Rasouli Yahya Nasira
  10.30495/civil.2023.701860
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  53 - Development of a two-stage method based on optimization algorithms and smart calculation methods in structural damage detection
  Behrouz Safa Asghar Rasouli Yahya Nasira
  10.30495/civil.2023.703595
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  54 - The formate and redox mechanisms of water-gas shift reaction on the surface of Ag: A nanocluster model based on DFT study
  Darioush Sharafie Ali Arab Mostafa Fazli
• Open Access Article
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  55 - Efficient Epoxidation of Alkenes using New Organometallic Catalysts ((E)-2,6-dimethoxy-4-((2-(5-methyl-1,3,4-thiadiazol-2-yl)hydrazono)methyl)phenol M: Cr, Fe, Co, Cu): An Antimicrobial and Theoretical Study of Catalyst
  Rasha Mahmood Mohammed Abowd Asmaa Sabti
  10.30495/ijc.2023.1986079.2007
• Open Access Article
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  56 - Neighboring group’s effect in sigmatropic migration on indol rings. A theoretical study and NBO analysis
  Saeed Jameh-Bozorghi Zahra Javanshir Fatemeh Naseri Maryam Darvishpoor
• Open Access Article
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  57 - The effectiveness of teaching drug calculation skills on the way of drug performance (change in awareness) of nurses working in special departments
  Somayyeh Talebi Sakineh Poorhosein Fookolaie Hadi DarvishKhezri Kolsom Akbarnataj Bisheh Homeyra Akbarzadeh Homeyra Tahmasebi
• Open Access Article
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  58 - An Experimental and Simulational Investigation on Schiff-base Complex of Cobalt and Corresponding Ligand as Corrosion Inhibitor in Acidic Solution
  B. جعفری Z. نوری صفا
• Open Access Article
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  59 - Mathematically modeling of target speed effect on nonlinearity in DTLMI-based nano-metrology system
  Saeed Olyaee Masood Sherafat