Computational chemistry and process design

Chemical Engineering Science

Volumn 54, Issue 13-14, 1999, Pages 1929-1939

  Dixon, David A ^a   Feller, David ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

Basis sets; Chemical processing; Computational chemistry; Density functional theory; Molecular orbital theory; Parallel processing

Indexed keywords

CHEMICAL OPERATIONS; COMPUTATIONAL METHODS; COMPUTER AIDED SOFTWARE ENGINEERING; ELECTRONIC STRUCTURE; MOLECULAR ORIENTATION; PARALLEL PROCESSING SYSTEMS; PROBABILITY DENSITY FUNCTION;

COMPUTATIONAL CHEMISTRY; MOLECULAR ORBITAL THEORY; PROCESS DESIGN;

CHEMICAL ENGINEERING;

CHEMICAL PROCESSING; CHEMICAL STRUCTURE; COMPUTER PROGRAM; COMPUTER TECHNIQUE;

EID: 0033165983     PISSN: 00092509     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2509(98)00510-7     Document Type: Article

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