Bond energy decomposition analysis for subsystem density functional theory

Journal of Chemical Physics

Volumn 138, Issue 9, 2013, Pages

  Beyhan, S Maya ^a   Götz, Andreas W ^a,b   Visscher, Lucas ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOND ENERGIES; BOND FORMATION; DNA BASE PAIRS; HYDROPHOBIC CORE; INTERACTION ENERGIES; INTERMOLECULAR INTERACTIONS; PROMOTION ENERGY; SMALL PROTEINS;

AMINO ACIDS; CARRIER CONCENTRATION; CHEMICAL BONDS; ELECTRON DENSITY MEASUREMENT; ELECTRONS;

DENSITY FUNCTIONAL THEORY;

AMINO ACID; DNA; RUBREDOXIN;

ARTICLE; CHEMICAL PHENOMENA; CHEMISTRY; QUANTUM THEORY;

AMINO ACIDS; DNA; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; QUANTUM THEORY; RUBREDOXINS;

EID: 84874857476     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4793629     Document Type: Article

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