A theoretical study of MgNC and MgCN in the X˜2ィ+ electronic state

Journal of Molecular Spectroscopy

Volumn 215, Issue 1, 2002, Pages 42-57

  Hirano, Tsuneo ^a   Ishii, Keisaku ^a   Odaka, Tina Erica ^b   Jensen, Per ^b,c  

^a OCHANOMIZU UNIVERSITY   (Japan)

^b UNIVERSITY OF WUPPERTAL   (Germany)

^c IBARAKI UNIVERSITY   (Japan)

Author keywords

ab initio; Electronic ground state; MgCN; MgNC; Rovibrational spectra

Indexed keywords

COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; GROUND STATE; MOLECULAR VIBRATIONS; POTENTIAL ENERGY; SPECTROSCOPIC ANALYSIS;

AVERAGED COUPLED-PAIR FUNCTIONAL METHOD (ACPF); ROVIBRATIONAL SPECTRA;

MAGNESIUM COMPOUNDS;

EID: 0036026304     PISSN: 00222852     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmsp.2002.8598     Document Type: Article

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