Hyperpolarizabilities of hydrogen-bonded complexes of phenol derivatives with ammonia: PM3 and ab initio studies

Journal of Molecular Structure

Volumn 880, Issue 1-3, 2008, Pages 48-51

  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

AMMONIA; DERIVATIVES; PHENOLS; POLARIZATION; SUBSTITUTION REACTIONS;

HYPERPOLARIZABILITIES; PHENOL DERIVATIVE; STO-3G METHODS;

HYDROGEN BONDS;

EID: 43249126959     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.01.035     Document Type: Article

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