The double Renner effect: A theoretical study of the MgNC/MgCN isomerization in the over(A, ̃) 2Π electronic state

Journal of Molecular Structure

Volumn 795, Issue 1-3, 2006, Pages 14-41

  Odaka, Tina Erica ^a   Jensen, Per ^a   Hirano, Tsuneo ^b  

^a UNIVERSITY OF WUPPERTAL   (Germany)

^b OCHANOMIZU UNIVERSITY   (Japan)

Author keywords

Isomerization; MgCN; MgNC; over(A, ) 2 electronic state; Renner effect

Indexed keywords

COMPUTER PROGRAM LISTINGS; DATA REDUCTION; ELECTRON ENERGY LEVELS; ELECTRON TUNNELING; GEOMETRY; MAGNESIUM COMPOUNDS; OPTIMIZATION; POTENTIAL ENERGY;

MGCN; MGNC; OVER(A, ̃)2Π ELECTRONIC STATE; RENNER EFFECTS;

ISOMERIZATION;

EID: 33747158788     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2005.10.059     Document Type: Article

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