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Volumn 84, Issue 1, 2001, Pages 2-12
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Symplectic molecular dynamics integration using normal mode analysis
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Author keywords
Hamiltonian systems; Linear chain molecules; Molecular dynamics simulation; Normal mode analysis; Symplectic integration methods
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Indexed keywords
ALGORITHMS;
CALCULATIONS;
CHEMICAL BONDS;
COMPUTER SIMULATION;
FREQUENCIES;
HAMILTONIANS;
INTEGRATION;
MOLECULAR STRUCTURE;
MOLECULES;
QUANTUM THEORY;
LINEAR CHAIN MOLECULES;
MOLECULAR DYNAMIC SIMULATION;
NORMAL MODE ANALYSIS;
SYMPLECTIC INTEGRATION METHODS;
MOLECULAR DYNAMICS;
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EID: 0034858212
PISSN: 00207608
EISSN: None
Source Type: Journal
DOI: 10.1002/qua.1301 Document Type: Conference Paper |
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Times cited : (17)
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References (22)
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