Keyphrases
Hyperthermal
100%
O(3P)
100%
Squalane
100%
Gas-liquid Interface
100%
QM-MM
66%
H-abstraction
66%
Open-shell
33%
Non-reactivity
33%
M-estimate
33%
Surface Structure
33%
Hydrocarbons
33%
Region-based
33%
Desorption
33%
Direct Reactions
33%
Efficient Simulation
33%
Atomic Oxygen
33%
Reaction Sites
33%
Translational Energy
33%
Semi-empirical Hamiltonian
33%
C-C Bond Cleavage
33%
Saturated Hydrocarbons
33%
Angle Variation
33%
Energy Distribution
33%
Incident Angle
33%
Direct Dynamics
33%
Seed number
33%
Dynamic Partitioning
33%
Classical Molecular Dynamics Simulations
33%
OPLS-AA
33%
OPLS-AA Force Field
33%
Trapping Reactions
33%
Collision Angle
33%
Chemistry
Ground State
100%
Desorption
100%
Liquid Interface
100%
Translational Energy
100%
Structure of the Liquid
100%
Hybrid QM/MM
100%
Molecular dynamics simulation
100%
Alkane
100%
Surface Structure
100%
Engineering
Alkane
100%
Liquid Gas
100%
Structure Surface
100%
Theoretical Investigation
100%
Incident Angle
100%
Energy Distribution
100%
Bond Cleavage
100%
Ground State
100%
Physics
Desorption
100%
Liquid Interface
100%
Hybrid QM/MM
100%
Molecular Dynamics
100%
Energy Distribution
100%
Field Theory (Physics)
100%
Ground State
100%
Material Science
Desorption
100%
Liquid Interface
100%
Surface Structure
100%