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Volumn 360, Issue 1795, 2002, Pages 1149-1164
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New challenges in quantum chemistry: Quests for accurate calculations for large molecular systems
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Author keywords
Large molecule systems; Quantum chemistry; The ONIOM method
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Indexed keywords
CARBON;
CARBON DIOXIDE;
CYCLOHEXANE DERIVATIVE;
CYCLOHEXANE OXIDE;
CYCLOHEXENE DERIVATIVE;
PROTEIN;
ZINC;
ALGORITHM;
CATALYSIS;
CHEMICAL MODEL;
CHEMICAL STRUCTURE;
CHEMISTRY;
COMPUTER PROGRAM;
COMPUTER SIMULATION;
CONFORMATION;
HYDROGEN BOND;
MACROMOLECULE;
METHODOLOGY;
NUCLEAR PHYSICS;
PHYSICAL CHEMISTRY;
PROTEIN BINDING;
QUANTUM THEORY;
REVIEW;
ALGORITHMS;
CARBON;
CARBON DIOXIDE;
CATALYSIS;
CHEMISTRY, PHYSICAL;
COMPUTER SIMULATION;
CYCLOHEXANES;
CYCLOHEXENES;
HYDROGEN BONDING;
MACROMOLECULAR SUBSTANCES;
MODELS, CHEMICAL;
MODELS, MOLECULAR;
MOLECULAR CONFORMATION;
NUCLEAR PHYSICS;
PROTEIN BINDING;
PROTEINS;
QUANTUM THEORY;
SOFTWARE;
ZINC;
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EID: 0037098212
PISSN: 1364503X
EISSN: None
Source Type: Journal
DOI: 10.1098/rsta.2002.0993 Document Type: Conference Paper |
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Times cited : (84)
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References (40)
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