Understanding Chemical Selectivity Through Well Selected Excited States

• 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; https://ndownloader.figshare.com/files/18047540

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