An application of chemometric techniques to analyze the effects of the wave function modifications on the intermolecular stretching frequencies of the hydrogen-bonded complexes

Chemometrics and Intelligent Laboratory Systems

Volumn 70, Issue 2, 2004, Pages 157-163

  Lopes, Kelson C ^a   Pereira, Flávia S ^a   Araújo, Regiane C M U ^a   Ramos, Mozart N ^b   Bruns, Roy E ^c  

^a FEDERAL UNIVERSITY OF PARAÍBA   (Brazil)

^b DEPARTAMENTO DE QUÍMICA FUNDAMENTAL   (Brazil)

^c UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

Ab initio; Hydrogen bond; Multivariate optimization techniques; type complexes

Indexed keywords

ACETYLENE; CYCLOPROPANE; ETHYLENE;

AB INITIO CALCULATION; ACCURACY; ARTICLE; CALCULATION; CHEMOMETRIC ANALYSIS; CORRELATION ANALYSIS; FACTORIAL ANALYSIS; HYDROGEN BOND; MOLECULAR DYNAMICS; POLARIZATION; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; REPRODUCIBILITY; STATISTICAL MODEL;

EID: 1142285270     PISSN: 01697439     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemolab.2003.11.004     Document Type: Article

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