Keyphrases
Activity Coefficient Model
40%
Chemical Compounds
20%
Computational Approach
20%
COSMO-SAC
100%
Cross-association
20%
Cross-interaction
20%
Cyclic Tetramer
20%
Field Modeling
20%
Force Field
20%
Force Field Parameters
20%
Hydrogen Bond Formation
20%
Hydrogen Bonds (H-bonds)
40%
Hydrogen Donor
20%
Lennard-Jones
20%
Liquid Structure
100%
Mixing Behavior
100%
Mixing Enthalpy
100%
Mixing Structure
100%
Molecular Modeling
20%
Molecular Simulation
100%
Oxygen Atom
20%
Partial Charges
20%
Pentamer
20%
Predictive Mode
20%
Primary Alcohols
100%
Pseudo-atom
20%
Secondary Alcohols
100%
Short-chain Alcohols
20%
Simulation Point
20%
Steric Hindrance
20%
Structural Change
20%
Temperature Effect
20%
TraPPE
60%
Chemistry
CHOH Group
20%
Enthalpy of Mixing
100%
Hydrogen
20%
Hydrogen Bonding
80%
Liquid Structure
100%
Molecular Modeling
20%
Oxygen Atom
20%
Primary Alcohols
100%
Secondary Alcohol
100%
Steric Hindrance
20%
Structure
20%
Structure of the Liquid
20%
Tetramer
20%
Earth and Planetary Sciences
Activity Coefficient
50%
Enthalpy
100%
Field Theory (Physics)
50%
Hydrogen Bond
100%
Oxygen Atom
25%
Structural Change
25%
Material Science
Activity Coefficient
50%
Hydrogen Bonding
100%
Molecular Simulation
100%
Pharmacology, Toxicology and Pharmaceutical Science
Alcohol Derivative
100%
Hydrogen Bond
57%
Tetramer
14%