Keyphrases
Torsion
100%
K(I)
100%
Benzene
100%
Thermochemical Properties
100%
Peroxy
100%
Harmonic Oscillator
75%
Rigid Rotor
75%
B3LYP/6-31G(d,p)
75%
Internal Rotor
75%
Rotor Harmonics
75%
Heat Capacity
50%
Enthalpy of Formation
50%
OH Groups
50%
G3MP2
50%
Antibonding Orbital
50%
Isodesmic Reactions
50%
Aromatic Species
50%
Reaction Energy
50%
Ortho
50%
Molecular Structure
25%
Aerosol
25%
Atmospheric Chemistry
25%
Energy Levels
25%
Structure-property Relationships
25%
Statistical Mechanics
25%
Density Functional Calculations
25%
Vibration Frequency
25%
Oxygen Atom
25%
Aerosol Formation
25%
Internal Rotation
25%
Intramolecular Interactions
25%
Double Bond
25%
Steric Repulsion
25%
OH Radical
25%
C-C Bond
25%
Thermodynamic Stability
25%
Lone Pair
25%
B3LYP/6-31G
25%
Hydrogen Bonding Interaction
25%
C-O Bond
25%
Molecular Oxygen
25%
Energy Calculation
25%
Molecular Vibration
25%
Vibration Structure
25%
Axial Position
25%
Negative Hyperconjugation
25%
External Rotation
25%
Intramolecular Hydrogen Bonding
25%
Hydroxyl
25%
Standard Entropy
25%
In Parenthesis
25%
S&T Capacities
25%
Data Evaluation
25%
High Entropy
25%
Second Law Analysis
25%
Cyclohexadienyl Radical
25%
Cyclohexadienyl
25%
Mechanics-based
25%
Rotation Potential
25%
Chemistry
DFT-B3LYP Calculation
100%
Harmonic Oscillator
75%
Hydrogen Bonding
50%
Enthalpy of Formation
50%
Møller-Plesset Perturbation Theory
50%
Conformational Isomer
50%
Molecular Structure
25%
Atmospheric Chemistry
25%
Ground State
25%
Dioxygen
25%
Molecular Vibration
25%
Hydroxyl
25%
Heat Capacity
25%
Oxygen Atom
25%
Heat Capacity Cp
25%
Hyperconjugation
25%
Statistical Mechanics
25%
Double Bond
25%
Internal Rotation
25%
Second Law Analysis
25%
Material Science
Hydrogen Bonding
100%
Density
50%
Molecular Structure
50%
Oxidation Reaction
50%