A global resource for computational chemistry

Journal of Molecular Modeling

Volumn 11, Issue 6, 2005, Pages 532-541

  Murray Rust, Peter ^a   Rzepa, Henry S ^b   Stewart, James J P ^c   Zhang, Yong ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

^c Stewart Computational Chemistry   (United States)

Author keywords

InChI; Mopac; NCI; Workflow; XML CML

Indexed keywords

BENZOQUINONE DERIVATIVE; METHYL GROUP;

ALGORITHM; ANALYTICAL ERROR; ARTICLE; CALCULATION; CANCER CENTER; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTATIONAL CHEMISTRY; COMPUTER ANALYSIS; COMPUTER LANGUAGE; COMPUTER PROGRAM; CONTROLLED STUDY; DATA ANALYSIS; DATA BASE; INTERNET; METHODOLOGY; PRIORITY JOURNAL; THREE DIMENSIONAL IMAGING;

BENZOQUINONES; CARBON; COMPUTER SIMULATION; COMPUTERS; METHYLATION; MODELS, CHEMICAL; MOLECULAR STRUCTURE;

EID: 29244455677     PISSN: 16102940     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00894-005-0278-1     Document Type: Article

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