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Design of a next generation force field: The X-POL potential
Wangshen Xie,
Jiali Gao
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
205
Scopus citations
Overview
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Keyphrases
Biomolecular
33%
Bonding Interactions
33%
Charge Delocalization
33%
Electronic Structure
66%
Electronic Structure Theory
66%
Empirical Force Field
33%
Force Field
100%
Glycine Dipeptide
33%
Many-body
33%
Mechanical Method
33%
Molecular Wave Function
33%
Non-bonded Interactions
33%
Parametrization
33%
Partial Charges
33%
Polarization Method
33%
Polymer Simulation
33%
Polypeptide
33%
Polypeptide Chain
33%
Quantum Mechanical
33%
Quantum Mechanical Models
33%
Small Animal Model
33%
Engineering
Electronic State
100%
Energy Levels
100%
Force Generation
100%
Internals
25%
Mechanical Model
25%
Model Compound
25%
Parametrization
25%
Chemistry
Dipeptide
25%
Electronic State
100%
Polypeptide
50%
Wave Function
25%
Chemical Engineering
Polypeptide
100%
Material Science
Energy Levels
100%