Practical computation of electronic excitation in solution: vertical excitation model†
Abstract
We present a unified treatment of solvatochromic shifts in liquid-phase
- This article is part of the themed collection: Physical Chemistry
* Corresponding authors
a
Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant Street S.E., Minneapolis, MN, USA
E-mail:
marenich@comp.chem.umn.edu (AVM), cramer@umn.edu (CJC), truhlar@umn.edu (DGT)
b Scuola Normale Superiore di Pisa, Piazza dei Cavalieri 7, Pisa, Italy
c
Dipartimento di Chimica e Chimica Industriale, Via Risorgimento 35, Pisa, Italy
E-mail:
bene@dcci.unipi.it (BM)
d
Gaussian, Inc., 340 Quinnipiac Street, Building 40, Wallingford, Connecticut, USA
E-mail:
giovanni@gaussian.com (GS)
We present a unified treatment of solvatochromic shifts in liquid-phase
A. V. Marenich, C. J. Cramer, D. G. Truhlar, C. A. Guido, B. Mennucci, G. Scalmani and M. J. Frisch, Chem. Sci., 2011, 2, 2143 DOI: 10.1039/C1SC00313E
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