Preprint
Understanding Chemical Selectivity Through Well Selected Excited States
Abstract
All calculations performed using ORCA 4.0, B3LYP (Gaussian version) + def2-tzvp/cc-pvtz level
Authors
Guégan F; Pigeon T; Proft FD; Tognetti V; Joubert L; Chermette H; Ayers PW; Luneau D; Morell C
DOI
10.26434/chemrxiv.10007627.v1
Preprint server
ChemRxiv