- Keyword Index

A

Adsorption Investigating Levodopa Adsorption on the Surface of Graphene and Carbon Nanocone by Density Functional Theory [Volume 9, Issue 30, 2019, Pages 1-20]
Adsorption A Computational Study on Tetranitrocarbazole Interaction with Boron Nitride Nanocage (B12N12) [Volume 9, Issue 32, 2019, Pages 11-1]
AIM Quantum chemical study of hydrogen bonded homodimers of NH2NW (W=O, S, Se) [Volume 9, Issue 31, 2019, Pages 69-85]
Amlodipine solid phase extraction Preconcentration of Amlodipine using Fe3O4@MWCNT- chitosan compositeand determinated by UV-Visb in biologycal samples [Volume 9, Issue 30, 2019, Pages 45-33]
Azacitidine The DFT studies on molecular configurations of Azacitidine [Volume 9, Issue 30, 2019, Pages 72-80]

B

Bicyclogermacrene Chemical composition of the essential oil obtained from leaf and flower of Ferula persica Willd.var. Persica By using spectroscopic manner GC and GC-MS [Volume 9, Issue 31, 2019, Pages 55-67]
Bis(3-amino-1-phenyl-2-buten-1-onato)nickel(II) Synthesis, Structure and vibrational assignment of bis(3-amino-1- phenyl-2-buten-1-onato) nickel(II) [Volume 9, Issue 31, 2019, Pages 1-15]
Boron nitride nanocage (B12N12) A Computational Study on Tetranitrocarbazole Interaction with Boron Nitride Nanocage (B12N12) [Volume 9, Issue 32, 2019, Pages 11-1]

C

C58BN heterofullerene A theoretical study on the nature of formaldehyde adsroption on the C58BN heterofullerene using DFT [Volume 9, Issue 32, 2019, Pages 23-12]
Carbon nanocone Investigating Levodopa Adsorption on the Surface of Graphene and Carbon Nanocone by Density Functional Theory [Volume 9, Issue 30, 2019, Pages 1-20]
Charge transfer The electronic and molecular structures of some new Cu(II) complexes with tripodal amine ligands: DFT studies [Volume 9, Issue 29, 2019, Pages 1-15]
Chemometrics Review on mycotoxins determination by infrared spectroscopy and chemometrics in Food stuff [Volume 9, Issue 32, 2019, Pages 42-24]
Concerted Reaction Cu (I)-Catalyzed C-C and C-N Coupling Reactions from a Theoretical Point of View [Volume 9, Issue 32, 2019, Pages 59-43]
Configuration The DFT studies on molecular configurations of Azacitidine [Volume 9, Issue 30, 2019, Pages 72-80]
Copper complexes The electronic and molecular structures of some new Cu(II) complexes with tripodal amine ligands: DFT studies [Volume 9, Issue 29, 2019, Pages 1-15]
Cu(II) Solid phase exteraction of trace Cu(II) in Islamshar waste water samples using modified Multiwall nano tube carbon [Volume 9, Issue 29, 2019, Pages 73-86]

D

Density functional theory (DFT) Theoretical and experimental tautomerism study of para-Trifluorobenzoylacetone halogen derivatives using DFT and vibrational spectroscopy [Volume 9, Issue 29, 2019, Pages 53-71]
Density function theory Computational study of the effect of tin oxide nanoparticles on the thermodynamic properties of Mephedrone [Volume 9, Issue 30, 2019, Pages 60-71]
Density of states A theoretical study on the nature of formaldehyde adsroption on the C58BN heterofullerene using DFT [Volume 9, Issue 32, 2019, Pages 23-12]
Deprotonation Cu (I)-Catalyzed C-C and C-N Coupling Reactions from a Theoretical Point of View [Volume 9, Issue 32, 2019, Pages 59-43]
DFT The electronic and molecular structures of some new Cu(II) complexes with tripodal amine ligands: DFT studies [Volume 9, Issue 29, 2019, Pages 1-15]
DFT Conformational analysis of For-L-Ser-L-Ala-NH2 protected dipeptide using quantum calculations: A DFT study [Volume 9, Issue 31, 2019, Pages 17-29]

E

EDA Quantum chemical study of hydrogen bonded homodimers of NH2NW (W=O, S, Se) [Volume 9, Issue 31, 2019, Pages 69-85]
Essential oil Chemical composition of the essential oil obtained from leaf and flower of Ferula persica Willd.var. Persica By using spectroscopic manner GC and GC-MS [Volume 9, Issue 31, 2019, Pages 55-67]

F

Fe3O4@MWCNT-chitosan Preconcentration of Amlodipine using Fe3O4@MWCNT- chitosan compositeand determinated by UV-Visb in biologycal samples [Volume 9, Issue 30, 2019, Pages 45-33]
Flame atomic absorption spectrometry(FAAS) Solid phase exteraction of trace Cu(II) in Islamshar waste water samples using modified Multiwall nano tube carbon [Volume 9, Issue 29, 2019, Pages 73-86]
For-Ser-Ala-NH2 Conformational analysis of For-L-Ser-L-Ala-NH2 protected dipeptide using quantum calculations: A DFT study [Volume 9, Issue 31, 2019, Pages 17-29]
Functionalized Solid phase exteraction of trace Cu(II) in Islamshar waste water samples using modified Multiwall nano tube carbon [Volume 9, Issue 29, 2019, Pages 73-86]

G

Graphene Investigating Levodopa Adsorption on the Surface of Graphene and Carbon Nanocone by Density Functional Theory [Volume 9, Issue 30, 2019, Pages 1-20]

H

Hydrogen bond Quantum chemical study of hydrogen bonded homodimers of NH2NW (W=O, S, Se) [Volume 9, Issue 31, 2019, Pages 69-85]

I

Infrared spectroscopy Review on mycotoxins determination by infrared spectroscopy and chemometrics in Food stuff [Volume 9, Issue 32, 2019, Pages 42-24]
Intramolecular hydrogen bond Theoretical study of 2-selenoformyl-3-thioxo-propionaldehyde (STP) in the exited states [Volume 9, Issue 29, 2019, Pages 17-35]
Intramolecular hydrogen bond Theoretical and experimental tautomerism study of para-Trifluorobenzoylacetone halogen derivatives using DFT and vibrational spectroscopy [Volume 9, Issue 29, 2019, Pages 53-71]
Intramolecular hydrogen bonding Investigation of the IntraMolecular Hydrogen Bonding in Halo, Methoxy, and Cyano-Malonealdehyde Derivatives [Volume 9, Issue 31, 2019, Pages 31-44]

K

Keyword: Ferula persica Chemical composition of the essential oil obtained from leaf and flower of Ferula persica Willd.var. Persica By using spectroscopic manner GC and GC-MS [Volume 9, Issue 31, 2019, Pages 55-67]
Keywords: Dipeptide model Conformational analysis of For-L-Ser-L-Ala-NH2 protected dipeptide using quantum calculations: A DFT study [Volume 9, Issue 31, 2019, Pages 17-29]

L

Levodopa Investigating Levodopa Adsorption on the Surface of Graphene and Carbon Nanocone by Density Functional Theory [Volume 9, Issue 30, 2019, Pages 1-20]

M

Magnetic nanocomposite Dispersive solid-phase extraction for preconcentration of colored effluent in aqueous samples using magnetic carbon nanotubes modified with chitosan [Volume 9, Issue 32, 2019, Pages 68-60]
MEP Quantum chemical study of hydrogen bonded homodimers of NH2NW (W=O, S, Se) [Volume 9, Issue 31, 2019, Pages 69-85]
MEP Investigation the conformational stability2-methyl-pyrimidin-4-ol using Quantum chemical [Volume 9, Issue 29, 2019, Pages 87-99]
Mephedrone Computational study of the effect of tin oxide nanoparticles on the thermodynamic properties of Mephedrone [Volume 9, Issue 30, 2019, Pages 60-71]
Molecular electrostatic potentials A theoretical study on the nature of formaldehyde adsroption on the C58BN heterofullerene using DFT [Volume 9, Issue 32, 2019, Pages 23-12]
Multi Wall Carbon NanoTube carboxyl Solid phase exteraction of trace Cu(II) in Islamshar waste water samples using modified Multiwall nano tube carbon [Volume 9, Issue 29, 2019, Pages 73-86]
Myrcene Chemical composition of the essential oil obtained from leaf and flower of Ferula persica Willd.var. Persica By using spectroscopic manner GC and GC-MS [Volume 9, Issue 31, 2019, Pages 55-67]

N

Natural bond orbital (NBO) A Computational Study on Tetranitrocarbazole Interaction with Boron Nitride Nanocage (B12N12) [Volume 9, Issue 32, 2019, Pages 11-1]
NBO Quantum chemical study of hydrogen bonded homodimers of NH2NW (W=O, S, Se) [Volume 9, Issue 31, 2019, Pages 69-85]
NBO Investigation the conformational stability2-methyl-pyrimidin-4-ol using Quantum chemical [Volume 9, Issue 29, 2019, Pages 87-99]
NBO Investigation of Jahn-Teller Effect in Distortion of OX2 (X=Cl. Br. I) Molecular System [Volume 9, Issue 30, 2019, Pages 21-31]
NBO Computational study of the effect of tin oxide nanoparticles on the thermodynamic properties of Mephedrone [Volume 9, Issue 30, 2019, Pages 60-71]
NCI Quantum chemical study of hydrogen bonded homodimers of NH2NW (W=O, S, Se) [Volume 9, Issue 31, 2019, Pages 69-85]
Nitrosamine Quantum chemical study of hydrogen bonded homodimers of NH2NW (W=O, S, Se) [Volume 9, Issue 31, 2019, Pages 69-85]

O

OH chemical shift Investigation of the IntraMolecular Hydrogen Bonding in Halo, Methoxy, and Cyano-Malonealdehyde Derivatives [Volume 9, Issue 31, 2019, Pages 31-44]
OH stretching frequency Investigation of the IntraMolecular Hydrogen Bonding in Halo, Methoxy, and Cyano-Malonealdehyde Derivatives [Volume 9, Issue 31, 2019, Pages 31-44]
Oxidative Addition Cu (I)-Catalyzed C-C and C-N Coupling Reactions from a Theoretical Point of View [Volume 9, Issue 32, 2019, Pages 59-43]

Q

Quantitative structure-property relationship Modeling and quantitative structure-property relationship (QSPR) study to predict the acidic constants of some chemical compounds using multiple linear regression and support vector machine [Volume 9, Issue 32, 2019, Pages 86-69]
Quantitative structure- property relationship (QSPR) Quantitative Structure-Property Relationship Study for Prediction of the Solvent Polarity Using Quantum Mechanics Descriptors and Support Vector Machine [Volume 9, Issue 29, 2019, Pages 37-52]
Quantum mechanics descriptors Quantitative Structure-Property Relationship Study for Prediction of the Solvent Polarity Using Quantum Mechanics Descriptors and Support Vector Machine [Volume 9, Issue 29, 2019, Pages 37-52]

R

Ramachandran plot Conformational analysis of For-L-Ser-L-Ala-NH2 protected dipeptide using quantum calculations: A DFT study [Volume 9, Issue 31, 2019, Pages 17-29]
Reductive Elimination Cu (I)-Catalyzed C-C and C-N Coupling Reactions from a Theoretical Point of View [Volume 9, Issue 32, 2019, Pages 59-43]

S

SN2 Cu (I)-Catalyzed C-C and C-N Coupling Reactions from a Theoretical Point of View [Volume 9, Issue 32, 2019, Pages 59-43]
Solvent polarity Quantitative Structure-Property Relationship Study for Prediction of the Solvent Polarity Using Quantum Mechanics Descriptors and Support Vector Machine [Volume 9, Issue 29, 2019, Pages 37-52]
Spectrophotometry Preconcentration of Amlodipine using Fe3O4@MWCNT- chitosan compositeand determinated by UV-Visb in biologycal samples [Volume 9, Issue 30, 2019, Pages 45-33]
Stability Energy Investigation of Jahn-Teller Effect in Distortion of OX2 (X=Cl. Br. I) Molecular System [Volume 9, Issue 30, 2019, Pages 21-31]
Support vector machine Modeling and quantitative structure-property relationship (QSPR) study to predict the acidic constants of some chemical compounds using multiple linear regression and support vector machine [Volume 9, Issue 32, 2019, Pages 86-69]
Support vector machine (SVM) Quantitative Structure-Property Relationship Study for Prediction of the Solvent Polarity Using Quantum Mechanics Descriptors and Support Vector Machine [Volume 9, Issue 29, 2019, Pages 37-52]
Surface Absorption Computational study of the effect of tin oxide nanoparticles on the thermodynamic properties of Mephedrone [Volume 9, Issue 30, 2019, Pages 60-71]

T

Tetranitrocarbazole (TNC) A Computational Study on Tetranitrocarbazole Interaction with Boron Nitride Nanocage (B12N12) [Volume 9, Issue 32, 2019, Pages 11-1]
The Jan-Teller effect Investigation of Jahn-Teller Effect in Distortion of OX2 (X=Cl. Br. I) Molecular System [Volume 9, Issue 30, 2019, Pages 21-31]
Tripodal amine ligands The electronic and molecular structures of some new Cu(II) complexes with tripodal amine ligands: DFT studies [Volume 9, Issue 29, 2019, Pages 1-15]

U

UV-Vis Spectrum Investigation the conformational stability2-methyl-pyrimidin-4-ol using Quantum chemical [Volume 9, Issue 29, 2019, Pages 87-99]

V

Vibrational Assignment Theoretical and experimental tautomerism study of para-Trifluorobenzoylacetone halogen derivatives using DFT and vibrational spectroscopy [Volume 9, Issue 29, 2019, Pages 53-71]

X

Xanthene Synthesis of new magnetic FeNi3 / SiO2 / PPA magnetic nanocatalysts in tetrahydrobenzo [a] xanthene-11-ones reaction under solvent-free conditions [Volume 9, Issue 30, 2019, Pages 59-47]