List of Articles Energy

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  1 - Investigation of Silicon Nanowires Roles in Solar Cells
  Ali Mahmoudloo Seyyed Sadegh Gholami
  10.30495/jptc.2023.72104.1257
• Open Access Article
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  2 - 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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  3 - 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
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  4 - Structural Characteristics and Reactivity Relationship of some Thiophene Derivatives
  Moriam Adeoye
• Open Access Article
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  5 - 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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  6 - The Study of Optical Properties Exciton Based of Molecular Quantum Dot
  Ali Mahmoudloo
  10.30495/jptc.2023.71763.1253
• Open Access Article
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  7 - Quantum mechanics investigation of acid dissociation constant of carboxylic acids in aqueous solution
  M. Khaleghian Gh. R. Ghashami
• Open Access Article
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  8 - 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
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  9 - 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
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  10 - 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
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  11 - Steric effects on the Singlet–Triplet Energy Gaps of Seven Membered Ring silylenes, R2C6H6Si
  M. Nikoorazm E. Vessally E. Abolfathi
• Open Access Article
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  12 - 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
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  13 - 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
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  14 - Thermodynamics, Solvents effects and 1H ,13C NMR Shielding :Theoretical studies of Adamantane
  Z. Bayat M. Monajjemi
• Open Access Article
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  15 - 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
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  16 - 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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  17 - Thermodynamic Analysis for Cationic Surfactants Binding to Bovine Serum Albumin
  Abdol-Khalegh Bordbar
• Open Access Article
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  18 - Theoretical and Structural Relationship Study of Electrochemical Properties of p- Sulfonated Calix[Slarene Macrocycles with Fullerenes as lp-Sulfonated Calliplarenesi@iCsl Supramolecular Complexes
  Avat (Armen) Taherpour Karim Zare Leila Bakhtiari
• Open Access Article
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  19 - 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
  Avat (Arman) Taherpour Leila Fathiyan
• Open Access Article
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  20 - Nitromethane - Methyl Nitrite Rearrangement: The Seising of Discrepancy between Theory and Experiment
  Jamshid Najafpour
• Open Access Article
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  21 - Investigation of Water Cluster ((H2O)n , n = 2-6) in Aspect of Structures, Energies and Thermodynamic Properties by Ab Initio methods
  S. Abedini Khorrami Sh. Moradi P. Aberomand Azar E. Pournamdari
• Open Access Article
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  22 - Theoretical study of 2,3,7,8-tetrachlorodibenzo-para-dioxine removal by boron nitride-nanotube (BNNT): QSAR, IR-DFT
  L. Mahdavian
• Open Access Article
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  23 - Presentation of the Soft-Core Double Yukawa Potential for Noble Gasses using in sillico
  Soheila Ghaderi Fariba Sadat Hashemi Ladan Mokhbersafa
• Open Access Article
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  24 - IR spectroscopic study and DFT calculations on dibenzyltin dichloride
  Leile Rahimi Ahar Moayad Hossaini Sadr Karim Zare Samad Motameni Tabatabei
• Open Access Article
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  25 - Derivation of ionization energy and electron affinity equations using chemical hardness and absolute electronegativity in isoelectronic series
  S. Kaya C. Kaya
• Open Access Article
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  26 - Estimating the second virial coefficients of some real gas mixtures and related thermodynamic views
  M. Baghernejad K. Zare
• Open Access Article
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  27 - Interaction of Pyrimidine Nucleobases with Silicon Carbide Nanotube: Effect of Functionalization on Stability and Solvation
  S. Ketabi S. M. Hashemianzadeh
• Open Access Article
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  28 - Electronic effects at 2 and 7 α–position of divalent unsaturated seven membered ring R2C6H6M (M=C, Si, Ge, Sn, Pb)
  Eynallah Abolfathi
• Open Access Article
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  29 - Thermodynamic Parameters of Cis-Platin and Trans-Platin Complexes with Guanine in Water, A DFT Study
  F. R. Nikmaram M. Khan Ahmadi
• Open Access Article
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  30 - Prediction of accurate pKa values of some α-substituted carboxylic acids with low cost of computational methods
  M. Abul Kashem Liton Sabrina Helen Mukta Das Dipa Islam M. Rabiul Karim
• Open Access Article
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  31 - Different substituted phenyl carbenes / silylenes/ germylenes: a survey of stability
  Fereshteh Naderi Rahimeh Bagheri Mohammad Yari
• Open Access Article
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  32 - Investigation of nuclear magnetic resonance (NMR) and Binding Energies Clonidine Drug-Carbon Nano Tube: A Theoretical Study
  Z. Yousefian