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Volumn 408, Issue , 1996, Pages 131-137
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Ab-initio molecular dynamics of organic compounds on a massively parallel computer
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Author keywords
[No Author keywords available]
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Indexed keywords
APPROXIMATION THEORY;
COMPUTER SIMULATION;
ELECTRONIC STRUCTURE;
FINITE DIFFERENCE METHOD;
FREQUENCIES;
ORGANIC COMPOUNDS;
PARALLEL PROCESSING SYSTEMS;
ADAPTIVE CURVILINEAR COORDINATES;
DENSITY FUNCTIONAL THEORY;
FURAN;
LOCAL DENSITY APPROXIMATION;
MASSIVELY PARALLEL COMPUTERS;
NITROSYL FLUORIDE;
PYRROLE;
REAL SPACE METHOD;
VIBRATIONAL FREQUENCY;
MOLECULAR DYNAMICS;
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EID: 0030312765
PISSN: 02729172
EISSN: None
Source Type: Conference Proceeding
DOI: None Document Type: Conference Paper |
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Times cited : (1)
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References (19)
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