Application of quantum topological molecular similarity descriptors in QSPR study of the O-methylation of substituted phenols

Journal of Computational Chemistry

Volumn 29, Issue 2, 2008, Pages 266-274

  Hemmateenejad, Bahram ^a,b   Mohajeri, Afshan ^a  

^a SHIRAZ UNIVERSITY   (Iran)

^b SHIRAZ UNIVERSITY OF MEDICAL SCIENCES   (Iran)

Author keywords

O methylation; Phenol; QSPR; Quantum topological molecular similarity; Rate constant

Indexed keywords

ALGORITHMS; LEAST SQUARES APPROXIMATIONS; METHYLATION; PHENOLS; PRINCIPAL COMPONENT ANALYSIS; RATE CONSTANTS;

ELECTRONIC DESCRIPTORS; O-METHYLATION; QUANTUM TOPOLOGICAL MOLECULAR SIMILARITY; QUANTUM TOPOLOGICAL MOLECULAR SIMILARITY (QTMS);

MOLECULAR DYNAMICS;

PHENOL DERIVATIVE;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; KINETICS; METHYLATION; PRINCIPAL COMPONENT ANALYSIS; QUANTUM THEORY; REGRESSION ANALYSIS;

ALGORITHMS; KINETICS; LEAST-SQUARES ANALYSIS; METHYLATION; MOLECULAR STRUCTURE; PHENOLS; PRINCIPAL COMPONENT ANALYSIS; QUANTUM THEORY;

EID: 37649004604     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20787     Document Type: Article

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