A comparative QSPR study of alkanes with the help of computational chemistry

Bulletin of the Korean Chemical Society

Volumn 30, Issue 1, 2009, Pages 67-76

  Srivastava, Hemant Kumar ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

Boiling point; DFT; Klopman atomic softness; QSPR; Semiempirical methods

Indexed keywords

ATOMS; BOILING POINT; CHEMICAL BONDS; COMPUTATIONAL CHEMISTRY; ELECTRONEGATIVITY; LINEAR REGRESSION; PARAFFINS; QUANTUM CHEMISTRY;

CORRELATION COEFFICIENT; ELECTROPHILICITY INDEX; GEOMETRY OPTIMIZATION; KLOPMAN ATOMIC SOFTNESS; MULTIPLE LINEAR REGRESSIONS; QSPR; QUANTUM CHEMICAL DESCRIPTORS; SEMI-EMPIRICAL METHODS;

CHEMICAL ANALYSIS;

EID: 60149094313     PISSN: 02532964     EISSN: 12295949     Source Type: Journal    
DOI: 10.5012/bkcs.2009.30.1.067     Document Type: Article

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