Determination of the Crystalline Structure of Nonlinear Molecules in a Combined Quantum Chemical and Classic Lattice Potential Description

International Journal of Quantum Chemistry

Volumn 95, Issue 6, 2003, Pages 830-836

  Ko, Gwon Hee ^a   Fink, William H ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Crystal lattice; Determination; Quantum chemistry; Space group prediction

Indexed keywords

APPROXIMATION THEORY; CRYSTAL LATTICES; CRYSTAL STRUCTURE; HAMILTONIANS; MOLECULAR STRUCTURE;

QUANTUM CHEMISTRY;

MOLECULAR DYNAMICS;

EID: 0242414456     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10652     Document Type: Article

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