CASSCF and CASPT2 Ab initio electronic structure calculations find singlet methylnitrene is an energy minimum

Journal of the American Chemical Society

Volumn 122, Issue 6, 2000, Pages 1098-1101

  Kemnitz, Carl R ^a   Ellison, G Barney ^b   Karney, William L ^c   Borden, Weston Thatcher ^d  

^a CALIFORNIA STATE UNIVERSITY   (United States)

^b UNIVERSITY OF COLORADO   (United States)

^c UNIVERSITY OF SAN FRANCISCO   (United States)

^d UNIVERSITY OF WASHINGTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBENE; HYDROGEN; IMINE; NITRO DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; ENERGY; GEOMETRY; PROTON TRANSPORT; STRUCTURE ANALYSIS;

EID: 0034673325     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9907257     Document Type: Article

References (49)

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