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]
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