The Application of Constricted Variational Density Functional Theory to Excitations Involving Electron Transitions from Occupied Lone-Pair Orbitals to Virtual π* Orbitals

Title
The Application of Constricted Variational Density Functional Theory to Excitations Involving Electron Transitions from Occupied Lone-Pair Orbitals to Virtual π* Orbitals
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 7, Issue 8, Pages 2485-2491
Publisher
American Chemical Society (ACS)
Online
2011-06-28
DOI
10.1021/ct200261a

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