Computational molecular spectroscopy for over(X, ∼)2 Δ NiCN: Large-amplitude bending motion

Journal of Molecular Spectroscopy

Volumn 250, Issue 1, 2008, Pages 33-43

  Hirano, Tsuneo ^a   Okuda, Rei ^b   Nagashima, Umpei ^b   Jensen, Per ^c  

^a OCHANOMIZU UNIVERSITY   (Japan)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^c UNIVERSITY OF WUPPERTAL   (Germany)

Author keywords

ab initio; Large amplitude bending; NiCN; over(X, )2 state; Renner effect; Rovibrationally averaged bond lengths

Indexed keywords

MOLECULAR SPECTROSCOPY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SPECTRUM ANALYSIS; THREE DIMENSIONAL;

ENERGY SURFACES; THREE DIMENSIONAL (3D);

POTENTIAL ENERGY;

EID: 45449089431     PISSN: 00222852     EISSN: 1096083X     Source Type: Journal    
DOI: 10.1016/j.jms.2008.04.001     Document Type: Article

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