An efficient approach for ab initio energy calculation of biopolymers

Journal of Chemical Physics

Volumn 122, Issue 18, 2005, Pages

  Chen, Xihua ^a   Zhang, Yingkai ^a   Zhang, John Z H ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; DENSITY MATRIX; DIPOLE MOMENT; TOTAL ENERGY;

AMINO ACIDS; DNA; ELECTROSTATICS; HAMILTONIANS; MATRIX ALGEBRA; NUMERICAL METHODS; ORGANIC POLYMERS; PROBABILITY DENSITY FUNCTION; PROBLEM SOLVING;

BIOPOLYMERS;

BIOPOLYMER; DNA; GLYCINE; LIGAND; PEPTIDE; POLYGLYCINE; PROTEIN;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRON; METHODOLOGY; PHYSICAL CHEMISTRY; STATISTICAL MODEL; THEORETICAL MODEL;

BIOPOLYMERS; CHEMISTRY, PHYSICAL; DNA; ELECTRONS; GLYCINE; LIGANDS; MODELS, CHEMICAL; MODELS, STATISTICAL; MODELS, THEORETICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PEPTIDES; PROTEINS;

EID: 34548090718     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1897382     Document Type: Article

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