Effects of wave function modifications on calculated C-H vibrational frequencies and infrared intensities of the dihaloethylenes

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 53, Issue 5, 1997, Pages 733-747

  Da Silva, João Bosco P ^a   Ramos, Mozart N ^a   Bruns, Roy E ^b,c  

^a FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

^b UNIVERSITY OF SÃO PAULO   (Brazil)

^c UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

Factorial design; Infrared intensities; Molecular orbital calculations; Principal components; Vibrational frequencies

Indexed keywords

EID: 0042098073     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(96)01790-8     Document Type: Article

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