Keyphrases
Quantum Mechanical
100%
Mechanical Modeling
100%
Mechanical Simulation
100%
Charging Scheme
66%
Dipole
33%
Geometry Optimization
33%
Mutual Polarization
33%
Adaptive Partitioning
33%
Multiscale Modeling
16%
Gas Phase
16%
Molecular Dynamics
16%
Molecular Dynamics Simulation
16%
Multiscale Simulation
16%
Mechanical Method
16%
Single Point
16%
Penetration Effect
16%
Charge Penetration
16%
Polarization Charge
16%
Mechanical Energy
16%
Treatment Type
16%
Covalent Bond
16%
Phase Calculation
16%
GAMESS
16%
Electronic Embedding
16%
Partial Charge Transfer
16%
Transition State Optimization
16%
Mechanical Embedding
16%
Region Embedding
16%
Flexible Embedding
16%
Fixed Partitioning
16%
External Call
16%
Polarizable Embedding
16%
Engineering
Gaussians
100%
Geometry Optimization
66%
Multiscale Modeling
33%
Computer Simulation
33%
Gas-Phase
33%
Mechanical Energy
33%
Purpose Program
33%
Mechanical Environment
33%
Covalent
33%
Physics
Mechanical Modelling
100%
Gaussian Distribution
100%
Molecular Dynamics
66%
Vapor Phase
33%
Chemistry
Gaussian Distribution
100%
Molecular Dynamics
66%
Purity
66%
Transition State
33%
Covalent Bond
33%