QM/MM non-adiabatic decay dynamics of formamide in polar and non-polar solvents
Abstract
Non-adiabatic on-the-fly dynamics simulations of the photodynamics of
* Corresponding authors
a
Rudjer Bošković Institute, Division of Organic Chemistry and Biochemistry, P.O.B. 180, Zagreb, Croatia
E-mail:
iantol@emma.irb.hr, mmaksic@emma.irb.hr
Fax: +385-1-4680-195
Tel: +385-1-4561-008
b
Institute for Theoretical Chemistry, University of Vienna, Waeringrstrasse 17, A-1090 Vienna, Austria
E-mail:
hans.lischka@univie.ac.at
c Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, USA
Non-adiabatic on-the-fly dynamics simulations of the photodynamics of
I. Antol, M. Eckert-Maksić, M. Vazdar, M. Ruckenbauer and H. Lischka, Phys. Chem. Chem. Phys., 2012, 14, 13262 DOI: 10.1039/C2CP41830D
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