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Journal of Raman Spectroscopy

Volumn 31, Issue 5, 2000, Pages 377-390

Ab initio and density functional study of the geometrical, electronic and vibrational properties of 2,2'-bipyridine

(6) Ould Moussa, L a Castell Ventura M a Kassab, E b Poizat, O c Strommen, D P d Kincaid, J R e

a UMR 8233 CNRS Université Pierre et Marie Curie (France)

b LABORATOIRE DE CHIMIE THÉORIQUE (France)

c UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE (France)

d IDAHO STATE UNIVERSITY (United States)

e MARQUETTE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ISOTOPES; MOLECULES; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

AB INITIO; AB INITIO METHOD; BIPYRIDINES; DENSITY-FUNCTIONAL STUDY; GEOMETRICAL PROPERTY; HARTREE-FOCK LEVELS; NEUTRAL MOLECULES; RESTRICTED HARTREE-FOCK; VIBRATIONAL PROPERTIES; WAVE NUMBERS;

DENSITY FUNCTIONAL THEORY;

2,2' BIPYRIDINE;

ACCURACY; ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; ENERGY TRANSFER; GEOMETRY; INTERMETHOD COMPARISON; STRUCTURE ANALYSIS; VIBRATION;

EID: 0033653844 PISSN: 03770486 EISSN: None Source Type: Journal
DOI: 10.1002/1097-4555(200005)31:5<377::AID-JRS520>3.0.CO;2-V Document Type: Article

Times cited : (33)

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