| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382995 | Chemical Physics Letters | 2012 | 4 Pages |
Abstract
⺠Vertical excitation spectrum of hydroxocobalamin is calculated. ⺠The repulsive singlet state is suggested to mediate the photodissociation of Co-OH bond. ⺠The spin-orbit coupling between the excited singlet and triplet states may also play a role in the photodissociation process.
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Physical and Theoretical Chemistry
Authors
Manoj Kumar, Pawel M. Kozlowski,