Combination of Theoretical ab Initio and Experimental Information to Obtain Reliable Harmonic Force Constants. Scaled Quantum Mechanical (SQM) Force Fields for Glyoxal, Acrolein, Butadiene, Formaldehyde, and Ethylene

Journal of the American Chemical Society

Volumn 105, Issue 24, 1983, Pages 7037-7047

  Pulay, Péter ^a   Fogarasi, Géza ^a   Pongor, Gábor ^a   Boggs, James E ^a   Vargha, Anna ^b  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^b UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ETHYLENE; FORMALDEHYDE;

BUTADIENE;

EID: 0020843873     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja00362a005     Document Type: Article

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