Periodic ab initio calculations of orthoboric acid

Journal of Chemical Physics

Volumn 113, Issue 8, 2000, Pages 3338-3343

  Zapol, Peter ^a   Curtiss, Larry A ^a   Erdemir, Ali ^a  

^a ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CRYSTAL STRUCTURE; ELECTRONIC PROPERTIES; HYDROGEN BONDS; LATTICE CONSTANTS; MONOLAYERS; PROBABILITY DENSITY FUNCTION;

ELECTRON DENSITY DISTRIBUTIONS; HARTREE-FOCK SELF CONSISTENT DENSITY; INTERMOLECULAR INTERACTIONS; ORTHOBORIC ACID;

INORGANIC ACIDS;

EID: 0034702611     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1286220     Document Type: Article

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