Hyperpolarizabilities of strongly hydrogen-bonded molecular complexes: PM3 and ab initio studies

Journal of Molecular Structure

Volumn 844-845, Issue , 2007, Pages 340-342

  Latajka, Zdzisław ^a   Gajewski, Grzegorz ^a   Barnes, Austin J ^b   Ratajczak, Henryk ^a  

^a UNIVERSITY OF WROC AW   (Poland)

^b UNIVERSITY OF SALFORD   (United Kingdom)

Author keywords

Ab initio; Hydrogen bond; Hyperpolarizabilities; NLO; PM3

Indexed keywords

BOND STRENGTH (CHEMICAL); HYDROGEN BONDS; MOLECULAR STRUCTURE; PHENOLS; PYRIDINE;

AB INITIO; AMINOPYRIDINES; HYPERPOLARIZABILITIES; MOLECULAR COMPLEXES; NITROSUBSTITUTED PHENOLS;

POLARIZATION;

EID: 35348849141     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2007.05.018     Document Type: Article

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