Variationally optimized basis orbitals for biological molecules

Journal of Chemical Physics

Volumn 121, Issue 22, 2004, Pages 10879-10888

  Ozaki, T ^a   Kino, H ^b  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BIOLOGICAL MATERIALS; ELECTRONIC STRUCTURE; HAMILTONIANS; HYDROGEN BONDS; MATRIX ALGEBRA; NUCLEIC ACIDS; OPTIMIZATION; POLARIZATION; POLYSACCHARIDES; THEOREM PROVING;

ATOMIC BASIS ORBITALS; BIOLOGICAL MOLECULES; DENSITY FUNCTIONAL THEORY (DFT); EMPIRICAL POTENTIAL;

ATOMIC PHYSICS;

DNA; POLYSACCHARIDE; PROTEIN;

ARTICLE; BIOPHYSICS; CHEMISTRY; ELECTRON; HYDROGEN BOND; METHODOLOGY; QUANTUM THEORY; STATISTICAL MODEL;

BIOPHYSICS; DNA; ELECTRONS; HYDROGEN BONDING; MODELS, STATISTICAL; POLYSACCHARIDES; PROTEINS; QUANTUM THEORY;

EID: 11144352294     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1794591     Document Type: Article

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