Keyphrases
Reaction Dynamics
100%
Trajectory Surface Hopping
100%
Ethylene
100%
Triplet
100%
O(3P)
100%
Intersystem Crossing
80%
Spin-orbit Coupling
80%
Singlet
80%
Collision Energy
60%
Hydrogen Abstraction
20%
Coupling Parameter
20%
Dynamic Study
20%
Hyperthermal
20%
Two-center
20%
Molecular Beam Experiments
20%
Crossed Molecular Beams
20%
Product Distribution
20%
On the Fly
20%
Formaldehyde
20%
Potential Energy Surface
20%
Dynamic Trajectory
20%
Energy Increase
20%
Branching Ratio
20%
Quasi-classical Trajectory
20%
Transition Probability
20%
Product Formation
20%
Center of Mass
20%
Nonadiabatic Dynamics
20%
Complete Active Space Self-consistent Field (CASSCF)
20%
CH2+
20%
Product Branching Ratios
20%
Coupling Values
20%
Relative Yield
20%
Crossing Point
20%
B3LYP/6-31G(d,p)
20%
Direct Dynamics
20%
Landau-Zener Transition
20%
Nonadiabatic Transition
20%
Chemistry
Ethylene
100%
Reaction Dynamics
100%
Intersystem Crossing [Singlet->triplet]
100%
Spin-Orbit Coupling
100%
Potential Energy Surface
25%
Product Distribution
25%
DFT-B3LYP Calculation
25%
CASSCF Calculation
25%
Molecular Beams
25%
Transition Probability
25%
formation
25%