Understanding Chemical Selectivity Through Well Selected Excited States

All calculations performed using ORCA 4.0, B3LYP (Gaussian version) + def2-tzvp/cc-pvtz level

Bibliographic Details
Main Authors: Guégan, Frédéric, Pigeon, Thomas, Proft, Frank de, Tognetti, Vincent, Joubert, Laurent, Chermette, Henry, Ayers, Paul W., Luneau, Dominique, Morell, Christophe
Format: Other/Unknown Material
Language:unknown
Published: American Chemical Society (ACS) 2019
Subjects:
Orca
Online Access:http://dx.doi.org/10.26434/chemrxiv.10007627.v1
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/60c74560842e659d82db2609/original/understanding-chemical-selectivity-through-well-selected-excited-states.pdf
Description
Summary:All calculations performed using ORCA 4.0, B3LYP (Gaussian version) + def2-tzvp/cc-pvtz level

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