An application of chemometric techniques to analyze the effects of wave function modifications on the binding energies of hydrogen-bonded complexes

Chemometrics and Intelligent Laboratory Systems

Volumn 62, Issue 1, 2002, Pages 37-46

  Araújo, Regiane C M U ^a   Da Silva, João Bosco P ^b   De Barros Neto, B ^b   Ramos, Mozart N ^b  

^a FEDERAL UNIVERSITY OF PARAÍBA   (Brazil)

^b FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

Author keywords

Ab initio; Factorial design; Hydrogen bond; Principal components

Indexed keywords

AB INITIO CALCULATION; ARTICLE; AVERAGE; CALCULATION; CHEMICAL REACTION; ENERGY; HYDROGEN BOND; POLARIZATION; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL;

EID: 0037188110     PISSN: 01697439     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0169-7439(01)00213-1     Document Type: Article

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