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Abstract
All calculations performed using ORCA 4.0, B3LYP (Gaussian version) + def2-tzvp/cc-pvtz level
Understanding Chemical Selectivity Through Well Selected Excited States
23 October 2019, Version 1
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.
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Now Published
Understanding Chemical Selectivity through Well Selected Excited States [opens in a new tab]
F. Guégan, T. Pigeon, F. De Proft, V. Tognetti, L. Joubert, H. Chermette, P. W. Ayers, D. Luneau, C. Morell journal article
The Journal of Physical Chemistry A , Volume 124, Issue 4
Online publication date: Dec 27, 2019
Version History
Oct 23, 2019 Version 1
Version Notes
Alpha version (not submitted yet)
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Author’s competing interest statement
No conflict to declare