Keyphrases
QM-MM
100%
Molecular Dynamics Study
100%
Reactive Scattering
100%
Squalane
100%
Liquid Surfaces
40%
Collision Energy
40%
Rotational Distribution
40%
Vibrational Distribution
40%
H-abstraction
40%
Molecular Dynamics Simulation
20%
Molecular Dynamics
20%
Computational Model
20%
Chemical Processes
20%
Residence Time
20%
Angular Distribution
20%
M-estimate
20%
Chemical Bond
20%
Reaction Energy
20%
Molecular Dynamics Calculations
20%
Carbon Atom
20%
Classical Molecular Dynamics
20%
Scattering Processes
20%
Translational Energy
20%
Comparison Experiment
20%
Semi-empirical Hamiltonian
20%
Product State
20%
Incident Angle
20%
Direct Dynamics
20%
Depth-time
20%
Atom Types
20%
Force Field Model
20%
Incident Energy
20%
Exothermic Reaction
20%
Atomic Fluorine
20%
Dynamic Partitioning
20%
Dynamic Scheme
20%
OPLS-AA
20%
OPLS-AA Force Field
20%
Ro-vibrational Energies
20%
Physics
Molecular Dynamics Study
100%
Hybrid QM/MM
100%
Molecular Dynamics
100%
Liquid Surface
66%
Field Theory (Physics)
66%
Chemical Bond
33%
Exothermic Reaction
33%
Computational Modeling
33%
Angular Distribution
33%
Chemistry
Reactive Scattering
100%
Molecular Dynamics Study
100%
Hybrid QM/MM
100%
Molecular Dynamics
50%
Carbon Atom
25%
Structure of the Liquid
25%
Fluorine
25%
Chemical Bond
25%
Molecular dynamics simulation
25%
Exothermic Reaction
25%
Material Science
Surface (Surface Science)
100%
Chemical Bonding
25%