A theoretical study of FeCN in the 6Δ electronic ground state

Journal of Molecular Spectroscopy

Volumn 243, Issue 2, 2007, Pages 267-279

  Hirano, Tsuneo ^a   Amano, Michiko ^a   Mitsui, Yukari ^a   Itono, Sachiko S ^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; Electronic ground state; FeCN and FeNC; MORBID; Rotation vibration energies; Structure

Indexed keywords

ELECTRONIC GROUND STATES; EQUILIBRIUM STRUCTURE; ROTATION-VIBRATION ENERGIES;

GROUND STATE; ISOMERS; MOLECULAR VIBRATIONS; PHASE EQUILIBRIA; SPECTROSCOPIC ANALYSIS;

IRON COMPOUNDS;

EID: 34447622827     PISSN: 00222852     EISSN: 1096083X     Source Type: Journal    
DOI: 10.1016/j.jms.2007.02.005     Document Type: Article

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