Keyword Index

A

  • Active Rice bran Removal trace CrO42- using funcationalization nano magnetic active Rice bran by Chitosan and determination using UV- Vis spectrometry [Volume 7, Issue 23, 2017, Pages 67-79]
  • Anion-Cation Interaction Study of hydrogen bond between the anion and cation in the methyl ethyl imidazolium bis (tri fluoro methylsulfonylmethane) amide ionic liquid using density functional theory (DFT) [Volume 7, Issue 22, 2017, Pages 1-18]
  • Anthranilic acid Investigation of intramolecular hydrogen bond in Anthranilic acid derivatives [Volume 7, Issue 23, 2017, Pages 53-66]
  • Atoms in molecule theory Intramolecular Hydrogen Bonding of (E)-N'-(n-Fluoro-2-hydroxybenzylidene) Nicotinohydrazide: A DFT study [Volume 7, Issue 23, 2017, Pages 11-19]

B

  • Binding Energy Theoretical investigations on the interactions of some drug fragments with guanine and adenine nucleic acid: DFT method, AIM analysis and NBO calculations [Volume 7, Issue 23, 2017, Pages 33-51]

D

  • Density functional theory (DFT) QSAR Study of New Biphenylic Derivatives as CB2 Receptor Ligands by Quantum Chemical Descriptors [Volume 7, Issue 22, 2017, Pages 57-65]
  • Density function theory Investigation of C-O tautomerism in a derivative of Flucytosine: A DFT study [Volume 7, Issue 22, 2017, Pages 43-55]
  • DFT Tautomerization and Intramolecular Hydrogen bond Strength of para Chlorine-Benzoylacetone by Quantum Computation and Spectrometry Results [Volume 7, Issue 22, 2017, Pages 27-34]
  • DFT Study of molecular and electronic structure of a new proton transfer compound with 2,6–pydc and py–3–cm: Synthesis and DFT calculations [Volume 7, Issue 23, 2017, Pages 1-10]
  • DFT A tautomerism in 2-amino-7H-purine-6-thiol: Theoretical study using implicit/explicit salvation models [Volume 7, Issue 21, 2017, Pages 41-52]

E

F

  • Flourocytosine Investigation of C-O tautomerism in a derivative of Flucytosine: A DFT study [Volume 7, Issue 22, 2017, Pages 43-55]

H

  • Hydrogen bond Study of hydrogen bond between the anion and cation in the methyl ethyl imidazolium bis (tri fluoro methylsulfonylmethane) amide ionic liquid using density functional theory (DFT) [Volume 7, Issue 22, 2017, Pages 1-18]
  • Hydrogen bond Study of molecular and electronic structure of a new proton transfer compound with 2,6–pydc and py–3–cm: Synthesis and DFT calculations [Volume 7, Issue 23, 2017, Pages 1-10]

I

  • Intramolecular hydrogen bond Tautomerization and Intramolecular Hydrogen bond Strength of para Chlorine-Benzoylacetone by Quantum Computation and Spectrometry Results [Volume 7, Issue 22, 2017, Pages 27-34]
  • Intramolecular hydrogen bond Investigation of intramolecular hydrogen bond in Anthranilic acid derivatives [Volume 7, Issue 23, 2017, Pages 53-66]
  • Intramolecular hydrogen bonding Intramolecular Hydrogen Bonding of (E)-N'-(n-Fluoro-2-hydroxybenzylidene) Nicotinohydrazide: A DFT study [Volume 7, Issue 23, 2017, Pages 11-19]
  • Ionic liquid Study of hydrogen bond between the anion and cation in the methyl ethyl imidazolium bis (tri fluoro methylsulfonylmethane) amide ionic liquid using density functional theory (DFT) [Volume 7, Issue 22, 2017, Pages 1-18]

K

  • Keywords: π-π stacking Theoretical investigations on the interactions of some drug fragments with guanine and adenine nucleic acid: DFT method, AIM analysis and NBO calculations [Volume 7, Issue 23, 2017, Pages 33-51]

M

  • Mirtazapine The comparision of NQR-NMR tensors and chemical reactivity of Mirtazapine and Normirtazapine analogues using quantum mechanics methods [Volume 7, Issue 22, 2017, Pages 19-26]

N

  • Natural bond orbital ( NBO) Investigation of intramolecular hydrogen bond in Anthranilic acid derivatives [Volume 7, Issue 23, 2017, Pages 53-66]
  • NBO Study of molecular and electronic structure of a new proton transfer compound with 2,6–pydc and py–3–cm: Synthesis and DFT calculations [Volume 7, Issue 23, 2017, Pages 1-10]
  • NMR chemical shielding The comparision of NQR-NMR tensors and chemical reactivity of Mirtazapine and Normirtazapine analogues using quantum mechanics methods [Volume 7, Issue 22, 2017, Pages 19-26]
  • Normirtazapine The comparision of NQR-NMR tensors and chemical reactivity of Mirtazapine and Normirtazapine analogues using quantum mechanics methods [Volume 7, Issue 22, 2017, Pages 19-26]
  • NQR tensors The comparision of NQR-NMR tensors and chemical reactivity of Mirtazapine and Normirtazapine analogues using quantum mechanics methods [Volume 7, Issue 22, 2017, Pages 19-26]

P

  • Proton transfer Compound Study of molecular and electronic structure of a new proton transfer compound with 2,6–pydc and py–3–cm: Synthesis and DFT calculations [Volume 7, Issue 23, 2017, Pages 1-10]

Q

  • Quantitative Structure-Activity Relationship (QSAR) QSAR Study of New Biphenylic Derivatives as CB2 Receptor Ligands by Quantum Chemical Descriptors [Volume 7, Issue 22, 2017, Pages 57-65]
  • Quantum Descriptor QSAR Study of New Biphenylic Derivatives as CB2 Receptor Ligands by Quantum Chemical Descriptors [Volume 7, Issue 22, 2017, Pages 57-65]

S

  • Spectroscopy Tautomerization and Intramolecular Hydrogen bond Strength of para Chlorine-Benzoylacetone by Quantum Computation and Spectrometry Results [Volume 7, Issue 22, 2017, Pages 27-34]
  • Synthesis Study of molecular and electronic structure of a new proton transfer compound with 2,6–pydc and py–3–cm: Synthesis and DFT calculations [Volume 7, Issue 23, 2017, Pages 1-10]

T

  • Tautomer Study and comparison of Equilibrium vs. resonance in keto-enol tautomerization in some piroxicam derivatives [Volume 7, Issue 22, 2017, Pages 35-41]

U

  • UV- Vis spectrometry Removal trace CrO42- using funcationalization nano magnetic active Rice bran by Chitosan and determination using UV- Vis spectrometry [Volume 7, Issue 23, 2017, Pages 67-79]