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Volumn 84, Issue 1, 2001, Pages 39-47
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Potential energy surfaces in hybrid quantum mechanical/molecular mechanical methods
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Author keywords
Effective Hamiltonian; Hybrid QM MM methods; Perturbation expansion; Potential energy surfaces; Strictly localized geminals
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Indexed keywords
HAMILTONIANS;
MOLECULAR DYNAMICS;
MOLECULAR STRUCTURE;
PERTURBATION TECHNIQUES;
POTENTIAL ENERGY;
SURFACES;
MOLECULAR MECHANICAL METHOD;
MOLECULAR MECHANICS;
PERTURBATION EXPANSION;
POTENTIAL ENERGY SURFACES;
QUANTUM MECHANICAL METHOD;
STRICTLY LOCALIZED GEMINALS;
QUANTUM THEORY;
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EID: 0034857470
PISSN: 00207608
EISSN: None
Source Type: Journal
DOI: 10.1002/qua.1305 Document Type: Conference Paper |
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Times cited : (12)
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References (34)
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