Exploring the Mechanism of Ultrafast Intersystem Crossing in Rhenium(I) Carbonyl Bipyridine Halide Complexes: Key Vibrational Modes and Spin–Vibronic Quantum Dynamics

Lookup NU author(s): Dr Julien Eng ORCiD

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Author(s): Harabuchi Y, Eng J, Gindensperger E, Taketsugu T, Maeda S, Daniel C

Publication type: Article

Publication status: Published

Journal: Journal of Chemical Theory and Computation

Year: 2016

Volume: 12

Issue: 5

Pages: 2335-2345

Print publication date: 10/05/2016

Online publication date: 05/04/2016

Acceptance date: 05/04/2016

ISSN (print): 1549-9618

ISSN (electronic): 1549-9626

Publisher: American Chemical Society

URL: https://doi.org/10.1021/acs.jctc.6b00080

DOI: 10.1021/acs.jctc.6b00080

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