The application of constricted variational density functional theory to excitations involving electron transitions from occupied lone-pair orbitals to virtual π* orbitals

Journal of Chemical Theory and Computation

Volumn 7, Issue 8, 2011, Pages 2485-2491

  Ziegler, Tom ^a   Krykunov, Mykhaylo ^a   Cullen, John ^b  

^a UNIVERSITY OF CALGARY   (Canada)

^b UNIVERSITY OF MANITOBA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 80051653665     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct200261a     Document Type: Article

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