Journal of Physical & Theoretical Chemistry - Articles List

Volume & Issue: Volume 14, Issue 1, April 2017, Pages 1-99

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.

Pages 1-14

Banjo - Semire; O.F Adekunle; S.B Akanji; V Adewumi

The Possibility of Selective Adsorption and Sensing of the Noble Gaseous Species by the C20 Fullerene, the Graphene Sheets, and the N4B4 Cluster

Pages 15-24

Parvaneh Pakravan

Electrochemical Determination of Thioridazine at Carbon Ionic Liquid Electrode

Pages 25-33

Mahzad Sakiani Abulhasan; Fatemeh Farjami

Quantum Chemical Modeling of N-(2-benzoylphenyl)oxalamate: Geometry Optimization, NMR, FMO, MEP and NBO Analysis Based on DFT Calculations

Pages 34-47

Masoome Sheikhi; Siyamak Shahab; Ali Ramazani

Prediction of the structural and spectral properties for L,L-ethylenedicysteine diethylester (EC) and its complex with Technetium-99m radionuclide

Pages 49-61

Mehdi Nabati

Interaction of SO2 gas with the pristine and B&O atoms doped AlNNTs: A DFT study

Pages 63-80

Mahdi Rezaei Sameti

Adsorptive removal of erythrosine dye from aqueous solutions using used cigarette filter ash loaded with Al/ Fe oxides

Pages 81-91

Marziyeh Ajoor; Farid Moeinpour

A computational chemistry investigation of the intermolecular interaction between ozone and isothiocyanic acid (HNCS)

Pages 93-99

Morteza Rouhani

Journal of Physical & Theoretical Chemistry

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