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POTLIB 2001: A potential energy surface library for chemical systems
Ronald J. Duchovic
, Yuri L. Volobuev
, Gillian C. Lynch
, Donald G. Truhlar
, Thomas C. Allison
, Albert F. Wagner
, Bruce C. Garrett
, Jose C. Corchado
Research output
:
Contribution to journal
›
Article
›
peer-review
59
Scopus citations
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Keyphrases
Program Package
100%
Potential Energy Surface
100%
Chemical System
100%
Utility Programs
75%
Computer Program
50%
Chemical Potential
25%
Chemical Kinetics
25%
User Interface
25%
Computer Code
25%
Potential Energy
25%
Program Library
25%
Internal Coordinates
25%
Local Implementation
25%
Born-Oppenheimer
25%
ANSI Standards
25%
Chemical Dynamics
25%
Dynamic Kinetics
25%
Surface Function
25%
Engineering
Potential Energy
100%
Energy Surface
100%
Chemical System
100%
Test Data
50%
Chemical Potential
25%
Internal Coordinate
25%
User Interfaces
25%
Biochemistry, Genetics and Molecular Biology
Dynamics
100%
Chemical Reaction Kinetics
100%