Ramazani.Ali
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
[
Vol.14,
Issue
2
- SpringYear
2017]
Ramazani.Ali
Quantum Chemical Modeling of N-(2-benzoylphenyl)oxalamate: Geometry Optimization, NMR, FMO, MEP and NBO Analysis Based on DFT Calculations
[
Vol.14,
Issue
1
- WinterYear
2017]
Rezaei Sameti.Mahdi
Interaction of SO2 gas with the pristine and B&O atoms doped AlNNTs: A DFT study
[
Vol.14,
Issue
1
- WinterYear
2017]
Rezaei Sameti.Mahdi
A computational study of Nitramide adsorption on the surface of pristine and Ni functionalized (4,4) armchair Gallium nitride nanotubes
[
Vol.14,
Issue
3
- SummerYear
2017]
Rouhani.Morteza
DFT study of the intermolecular interaction of 3,4-dinitropyrazole (DNP) and H2O
[
Vol.14,
Issue
3
- SummerYear
2017]
Rouhani.Morteza
A computational chemistry investigation of the intermolecular interaction between ozone and isothiocyanic acid (HNCS)
[
Vol.14,
Issue
1
- WinterYear
2017]