Vibrational Analysis of Some Transient Species Implicated in the Photoreduction of 4,4′-Bipyridine Based on Ab Initio and Density Functional Calculations

Journal of Raman Spectroscopy

Volumn 29, Issue 6, 1998, Pages 511-536

  Castellà Ventura, Martine ^a   Kassab, Emile ^b  

^a Intrac et Réactivité   (France)

^b LABORATOIRE DE CHIMIE THÉORIQUE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRON AFFINITY; ISOTOPES; MOLECULES; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

AB INITIO AND DENSITY FUNCTIONAL CALCULATIONS; BARRIER HEIGHTS; BIPYRIDINES; ISOELECTRONICS; ISOTOPOMERS; PHOTO REDUCTION; ROTATIONAL BARRIERS; TRANSIENT SPECIES; VIBRATIONAL ANALYSIS; WAVE NUMBERS;

POSITIVE IONS;

EID: 0343350893     PISSN: 03770486     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1097-4555(199806)29:6<511::aid-jrs271>3.0.co;2-j     Document Type: Article

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