Linear absorption spectra of solvated thiouracils resolved at the hybrid RASPT2/MM level
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference83 articles.
1. QM/MM: what have we learned, where are we, and where do we go from here?;Lin;Theo. Chem. Acc.,2007
2. Mixed quantum mechanical/molecular mechanical molecular dynamics simulations of biological systems in ground and electronically excited states;Brunk;Chem. Rev.,2015
3. Combined quantum and molecular mechanics (QM/MM) approaches to simulate ultrafast photodynamics in biological systems;Weingart;Cur. Org. Chem.,2017
4. Solvent effects on electronically excited states: QM/continuum versus QM/explicit models;De Vett;J. Phys. Chem. B,2018
5. Spectroscopy in complex environments from QM-MM simulations;Morzan;Chem. Rev.,2018
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