A chemometrical study of intermolecular properties of hydrogen-bonded complexes formed by C2H4O⋯HX and C2H5N⋯HX with X = F, CN, NC, and CCH

Journal of Molecular Modeling

Volumn 15, Issue 4, 2009, Pages 421-432

  Oliveira, Boaz G ^a   Araújo, Regiane C M U ^a   Carvalho, António B ^a   Ramos, Mozart N ^b  

^a FEDERAL UNIVERSITY OF PARAÍBA   (Brazil)

^b FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

Author keywords

3LYP; Chemometric techniques; Hydrogen bonded complexes; MP2

Indexed keywords

HYDROGEN;

ARTICLE; BIOMETRY; CHEMICAL MODIFICATION; CHEMICAL STRUCTURE; CHEMOMETRIC ANALYSIS; CLUSTER ANALYSIS; DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; INTERMETHOD COMPARISON; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; MOLLER-PLESSET PERTURBATION THEORY; POLARIZATION; PRIORITY JOURNAL; SURFACE PROPERTY;

ACETONE; ACETONITRILES; HYDROGEN BONDING; MODELS, CHEMICAL;

EID: 60849111373     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0422-9     Document Type: Article

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