Periodic Hartree-Fock characterization of the structure and electronic properties of zeolite NaCaA

Journal of Physical Chemistry B

Volumn 101, Issue 4, 1997, Pages 590-595

  White, Julia C ^a   Nicholas, John B ^a   Hess, Anthony C ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; BOUNDARY CONDITIONS; COMPUTATIONAL METHODS; COMPUTER SOFTWARE; CRYSTAL SYMMETRY; CRYSTALLINE MATERIALS; ELECTRIC CHARGE; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; OPTIMIZATION; SILICON; X RAY CRYSTALLOGRAPHY;

HARTREE FOCK TECHNIQUE; SOFTWARE PACKAGE CRYSTAL;

ZEOLITES;

EID: 0030849564     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9623094     Document Type: Article

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