Keyword Index

A

  • Ab initio Hydrogen Abstraction Reaction of Hydroxyl Radical with 1,1-Dibromoethane and 1,2-Dibromoethane Studied by Using Semi-Classical Transition State Theory [Volume 2, Issue 2, 2014, Pages 123-130]
  • Ab initio calculations Conformational analysis of N- and C-terminally protected tripeptide model glycyl-isoleucine-glycyl: An ab initio and DFT study [Volume 2, Issue 1, 2014, Pages 68-75]
  • Activity coefficient Study of Activity Coefficient of Hydrochloric Acid in 2-Propanol-Water Mixture by Electromotive Force Measurement Method [Volume 2, Issue 2, 2014, Pages 151-158]
  • Adsorption energy Sulfur Dioxide Internal and External Adsorption on the Single-Walled Carbon Nanotubes: DFT Study [Volume 2, Issue 1, 2014, Pages 30-40]
  • Aggregation Vapor-Pressure Osmometry and Conductivity Determination of Salting-Out Effects in Aqueous Surface-Active Ionic Liquid 1-Dodecyl-3-methylimidazolium Bromide Solutions [Volume 2, Issue 2, 2014, Pages 159-170]
  • Alcohol + salt Modeling of liquid–liquid equilibria of aqueous alcohol + salt systems using amodified NRTL [Volume 2, Issue 1, 2014, Pages 96-115]
  • Alkali halides Design, Construction and Calibration of a Laser Ionization Time-of-Flight Mass Spectrometer [Volume 2, Issue 2, 2014, Pages 202-216]
  • Aluminum alloys Detecting pitting corrosion and its severity using wavelet entropy in electrochemical noise measurement [Volume 2, Issue 1, 2014, Pages 116-122]
  • Amidogen radical Reaction Dynamics of NH2+OH on an Interpolated Potential Energy Surface [Volume 2, Issue 1, 2014, Pages 53-67]
  • Antibacterial Activity Antibacterial Activity of Short-Chained 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl) Imide Ionic Liquids [Volume 2, Issue 2, 2014, Pages 260-269]
  • Anti-HIV drug A Thermodynamic Study of the Interactions between Acetamide Derivatives and PCA-PEG-PCA Copolymers: ONIOM Calculations [Volume 2, Issue 2, 2014, Pages 131-136]

B

  • Bis (trifluoromethylsulfonyl) imide Antibacterial Activity of Short-Chained 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl) Imide Ionic Liquids [Volume 2, Issue 2, 2014, Pages 260-269]

C

  • Carbazole Materials Based on Carbazole for Organic Solar Cells Applications. Theoretical Investigations [Volume 2, Issue 2, 2014, Pages 244-251]
  • Catalyst deactivation A review of Fischer-Tropsch synthesis on the cobalt based catalysts [Volume 2, Issue 2, 2014, Pages 179-201]
  • Ceramic Crystal Chemistry of Immobilization of tetravalent Ce and Se in ceramic matrix of sodium zirconium phosphates [Volume 2, Issue 1, 2014, Pages 21-29]
  • Chirality Theoretical study of magnetic susceptibility and optical activity of small molecules containing one chiral center [Volume 2, Issue 1, 2014, Pages 41-52]
  • Co-based catalyst A review of Fischer-Tropsch synthesis on the cobalt based catalysts [Volume 2, Issue 2, 2014, Pages 179-201]
  • Cooperativity Mutual interplay between interactions of pi electrons with simultaneous σ-hole interactions: A computational Study [Volume 2, Issue 1, 2014, Pages 1-10]
  • Cooperativity Interplay Between Lithium Bonding and Halogen Bonding in F3CX•••YLi•••NCCN and F3CX•••NCCN•••LiY Complexes (X = Cl, Br; Y = CN, NC) [Volume 2, Issue 2, 2014, Pages 171-178]
  • Copolymer A Thermodynamic Study of the Interactions between Acetamide Derivatives and PCA-PEG-PCA Copolymers: ONIOM Calculations [Volume 2, Issue 2, 2014, Pages 131-136]
  • Correlation Theoretical study of magnetic susceptibility and optical activity of small molecules containing one chiral center [Volume 2, Issue 1, 2014, Pages 41-52]
  • Corrosion type Detecting pitting corrosion and its severity using wavelet entropy in electrochemical noise measurement [Volume 2, Issue 1, 2014, Pages 116-122]
  • Cu-doped ZnS Ultrasonic-assisted Method for Preparation of Cu-doped ZnS Nanoparticles in Water as a Highly Efficient Visible Light Photocatalyst [Volume 2, Issue 1, 2014, Pages 76-89]

D

  • Density functional theory (DFT) Sulfur Dioxide Internal and External Adsorption on the Single-Walled Carbon Nanotubes: DFT Study [Volume 2, Issue 1, 2014, Pages 30-40]
  • DFT Mutual interplay between interactions of pi electrons with simultaneous σ-hole interactions: A computational Study [Volume 2, Issue 1, 2014, Pages 1-10]
  • DFT The DFT chemical investigations of optoelectronic and photovoltaic properties of short-chain conjugated molecules [Volume 2, Issue 1, 2014, Pages 11-20]
  • DFT Conformational analysis of N- and C-terminally protected tripeptide model glycyl-isoleucine-glycyl: An ab initio and DFT study [Volume 2, Issue 1, 2014, Pages 68-75]
  • DNA nucleobase Nature of Lithium Interactions with DNA Nucleobases: Theoretical Study [Volume 2, Issue 2, 2014, Pages 229-243]
  • Drug Delivery A Thermodynamic Study of the Interactions between Acetamide Derivatives and PCA-PEG-PCA Copolymers: ONIOM Calculations [Volume 2, Issue 2, 2014, Pages 131-136]

E

  • EDA Interplay Between Lithium Bonding and Halogen Bonding in F3CX•••YLi•••NCCN and F3CX•••NCCN•••LiY Complexes (X = Cl, Br; Y = CN, NC) [Volume 2, Issue 2, 2014, Pages 171-178]
  • Electrochemical noise Detecting pitting corrosion and its severity using wavelet entropy in electrochemical noise measurement [Volume 2, Issue 1, 2014, Pages 116-122]
  • Electronic properties Materials Based on Carbazole for Organic Solar Cells Applications. Theoretical Investigations [Volume 2, Issue 2, 2014, Pages 244-251]
  • Electronic Spatial Extent Theoretical study of magnetic susceptibility and optical activity of small molecules containing one chiral center [Volume 2, Issue 1, 2014, Pages 41-52]
  • Energy fluctuations How the Nonextensivity Parameter Affects Energy Fluctuations [Volume 2, Issue 2, 2014, Pages 137-145]
  • Entropy Detecting pitting corrosion and its severity using wavelet entropy in electrochemical noise measurement [Volume 2, Issue 1, 2014, Pages 116-122]

F

  • Fischer-Tropsch synthesis A review of Fischer-Tropsch synthesis on the cobalt based catalysts [Volume 2, Issue 2, 2014, Pages 179-201]
  • Fluorine TECEB Materials Based on Carbazole for Organic Solar Cells Applications. Theoretical Investigations [Volume 2, Issue 2, 2014, Pages 244-251]

G

  • Gibbs energy Modeling of liquid–liquid equilibria of aqueous alcohol + salt systems using amodified NRTL [Volume 2, Issue 1, 2014, Pages 96-115]
  • Green function’s technique Spin-polarized transport through a zigzag-edge graphene flake embedded between two armchair nanoribbons electrodes [Volume 2, Issue 2, 2014, Pages 146-150]
  • GSAS Crystal Chemistry of Immobilization of tetravalent Ce and Se in ceramic matrix of sodium zirconium phosphates [Volume 2, Issue 1, 2014, Pages 21-29]

H

  • Halogen bonds Interplay Between Lithium Bonding and Halogen Bonding in F3CX•••YLi•••NCCN and F3CX•••NCCN•••LiY Complexes (X = Cl, Br; Y = CN, NC) [Volume 2, Issue 2, 2014, Pages 171-178]
  • Harmonic oscillator How the Nonextensivity Parameter Affects Energy Fluctuations [Volume 2, Issue 2, 2014, Pages 137-145]
  • Hubbard model Spin-polarized transport through a zigzag-edge graphene flake embedded between two armchair nanoribbons electrodes [Volume 2, Issue 2, 2014, Pages 146-150]
  • Hydrochloric acid Study of Activity Coefficient of Hydrochloric Acid in 2-Propanol-Water Mixture by Electromotive Force Measurement Method [Volume 2, Issue 2, 2014, Pages 151-158]

I

  • Ideal gas How the Nonextensivity Parameter Affects Energy Fluctuations [Volume 2, Issue 2, 2014, Pages 137-145]
  • Imidazolium salts Antibacterial Activity of Short-Chained 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl) Imide Ionic Liquids [Volume 2, Issue 2, 2014, Pages 260-269]
  • Ionic Liquid Vapor-Pressure Osmometry and Conductivity Determination of Salting-Out Effects in Aqueous Surface-Active Ionic Liquid 1-Dodecyl-3-methylimidazolium Bromide Solutions [Volume 2, Issue 2, 2014, Pages 159-170]
  • Ionic Liquid Antibacterial Activity of Short-Chained 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl) Imide Ionic Liquids [Volume 2, Issue 2, 2014, Pages 260-269]
  • Ionized gas Thermodynamic properties of the ionized gas 3He [Volume 2, Issue 1, 2014, Pages 90-95]
  • Isotope pattern Design, Construction and Calibration of a Laser Ionization Time-of-Flight Mass Spectrometer [Volume 2, Issue 2, 2014, Pages 202-216]

K

  • Kernel density estimator Detecting pitting corrosion and its severity using wavelet entropy in electrochemical noise measurement [Volume 2, Issue 1, 2014, Pages 116-122]

L

  • Laser ionization Design, Construction and Calibration of a Laser Ionization Time-of-Flight Mass Spectrometer [Volume 2, Issue 2, 2014, Pages 202-216]
  • Light olefins A review of Fischer-Tropsch synthesis on the cobalt based catalysts [Volume 2, Issue 2, 2014, Pages 179-201]
  • Liquid 3He Calculation of Thermodynamic Properties of the Quasi-one Dimensional Liquid 3He at Finite Temperature [Volume 2, Issue 2, 2014, Pages 252-259]
  • Lithium bonding Interplay Between Lithium Bonding and Halogen Bonding in F3CX•••YLi•••NCCN and F3CX•••NCCN•••LiY Complexes (X = Cl, Br; Y = CN, NC) [Volume 2, Issue 2, 2014, Pages 171-178]
  • Lithium cation Nature of Lithium Interactions with DNA Nucleobases: Theoretical Study [Volume 2, Issue 2, 2014, Pages 229-243]

M

  • Magnetic Susceptibility Theoretical study of magnetic susceptibility and optical activity of small molecules containing one chiral center [Volume 2, Issue 1, 2014, Pages 41-52]
  • Mass spectrometry Design, Construction and Calibration of a Laser Ionization Time-of-Flight Mass Spectrometer [Volume 2, Issue 2, 2014, Pages 202-216]
  • Metal interaction Nature of Lithium Interactions with DNA Nucleobases: Theoretical Study [Volume 2, Issue 2, 2014, Pages 229-243]

N

  • Nanoparticles Ultrasonic-assisted Method for Preparation of Cu-doped ZnS Nanoparticles in Water as a Highly Efficient Visible Light Photocatalyst [Volume 2, Issue 1, 2014, Pages 76-89]
  • Nonextensive systems How the Nonextensivity Parameter Affects Energy Fluctuations [Volume 2, Issue 2, 2014, Pages 137-145]
  • NQR Interplay Between Lithium Bonding and Halogen Bonding in F3CX•••YLi•••NCCN and F3CX•••NCCN•••LiY Complexes (X = Cl, Br; Y = CN, NC) [Volume 2, Issue 2, 2014, Pages 171-178]

O

  • ONIOM2 A Thermodynamic Study of the Interactions between Acetamide Derivatives and PCA-PEG-PCA Copolymers: ONIOM Calculations [Volume 2, Issue 2, 2014, Pages 131-136]
  • Optical Activity Theoretical study of magnetic susceptibility and optical activity of small molecules containing one chiral center [Volume 2, Issue 1, 2014, Pages 41-52]

P

  • Photocatalysis Ultrasonic-assisted Method for Preparation of Cu-doped ZnS Nanoparticles in Water as a Highly Efficient Visible Light Photocatalyst [Volume 2, Issue 1, 2014, Pages 76-89]
  • Polarized liquid 3He Thermodynamic properties of polarized liquid 3He along different isentropic paths [Volume 2, Issue 2, 2014, Pages 217-228]
  • Powder XRD Crystal Chemistry of Immobilization of tetravalent Ce and Se in ceramic matrix of sodium zirconium phosphates [Volume 2, Issue 1, 2014, Pages 21-29]

Q

  • Quasi-one dimension Calculation of Thermodynamic Properties of the Quasi-one Dimensional Liquid 3He at Finite Temperature [Volume 2, Issue 2, 2014, Pages 252-259]

R

  • Ramachandran map Conformational analysis of N- and C-terminally protected tripeptide model glycyl-isoleucine-glycyl: An ab initio and DFT study [Volume 2, Issue 1, 2014, Pages 68-75]
  • Reaction dynamics Reaction Dynamics of NH2+OH on an Interpolated Potential Energy Surface [Volume 2, Issue 1, 2014, Pages 53-67]
  • Rietveld refinement Crystal Chemistry of Immobilization of tetravalent Ce and Se in ceramic matrix of sodium zirconium phosphates [Volume 2, Issue 1, 2014, Pages 21-29]

S

  • Salt effect Vapor-Pressure Osmometry and Conductivity Determination of Salting-Out Effects in Aqueous Surface-Active Ionic Liquid 1-Dodecyl-3-methylimidazolium Bromide Solutions [Volume 2, Issue 2, 2014, Pages 159-170]
  • Se/CeNZP Crystal Chemistry of Immobilization of tetravalent Ce and Se in ceramic matrix of sodium zirconium phosphates [Volume 2, Issue 1, 2014, Pages 21-29]
  • Semi-classical transition state Hydrogen Abstraction Reaction of Hydroxyl Radical with 1,1-Dibromoethane and 1,2-Dibromoethane Studied by Using Semi-Classical Transition State Theory [Volume 2, Issue 2, 2014, Pages 123-130]
  • S-triazine Mutual interplay between interactions of pi electrons with simultaneous σ-hole interactions: A computational Study [Volume 2, Issue 1, 2014, Pages 1-10]

T

  • TD-DFT Materials Based on Carbazole for Organic Solar Cells Applications. Theoretical Investigations [Volume 2, Issue 2, 2014, Pages 244-251]
  • TECEB Materials Based on Carbazole for Organic Solar Cells Applications. Theoretical Investigations [Volume 2, Issue 2, 2014, Pages 244-251]
  • Thermochemistry Nature of Lithium Interactions with DNA Nucleobases: Theoretical Study [Volume 2, Issue 2, 2014, Pages 229-243]
  • Thermodynamic properties A Thermodynamic Study of the Interactions between Acetamide Derivatives and PCA-PEG-PCA Copolymers: ONIOM Calculations [Volume 2, Issue 2, 2014, Pages 131-136]
  • Thermodynamic properties Calculation of Thermodynamic Properties of the Quasi-one Dimensional Liquid 3He at Finite Temperature [Volume 2, Issue 2, 2014, Pages 252-259]
  • Time-of-flight Design, Construction and Calibration of a Laser Ionization Time-of-Flight Mass Spectrometer [Volume 2, Issue 2, 2014, Pages 202-216]
  • Tripeptide structures Conformational analysis of N- and C-terminally protected tripeptide model glycyl-isoleucine-glycyl: An ab initio and DFT study [Volume 2, Issue 1, 2014, Pages 68-75]
  • Tsallis statistical mechanics   How the Nonextensivity Parameter Affects Energy Fluctuations [Volume 2, Issue 2, 2014, Pages 137-145]
  • Two-phase system Modeling of liquid–liquid equilibria of aqueous alcohol + salt systems using amodified NRTL [Volume 2, Issue 1, 2014, Pages 96-115]

U

  • Ultrasonic irradiation Ultrasonic-assisted Method for Preparation of Cu-doped ZnS Nanoparticles in Water as a Highly Efficient Visible Light Photocatalyst [Volume 2, Issue 1, 2014, Pages 76-89]

V

  • Vapor-pressure osmometery Vapor-Pressure Osmometry and Conductivity Determination of Salting-Out Effects in Aqueous Surface-Active Ionic Liquid 1-Dodecyl-3-methylimidazolium Bromide Solutions [Volume 2, Issue 2, 2014, Pages 159-170]