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How Methylation Modifies the Photophysics of the Native All- trans-Retinal Protonated Schiff Base: A CASPT2/MD Study in Gas Phase and in Methanol.
J Phys Chem A. 2018 Mar 22;122(11):3096-3106. doi: 10.1021/acs.jpca.8b00773. Epub 2018 Mar 12.
J Phys Chem A. 2018.
PMID: 29489369
Theoretical study of solvent effects on the ground and low-lying excited free energy surfaces of a push-pull substituted azobenzene.
Corchado JC, Sánchez ML, Fdez Galván I, Martín ME, Muñoz-Losa A, Barata-Morgado R, Aguilar MA.
Corchado JC, et al. Among authors: barata morgado r.
J Phys Chem B. 2014 Oct 30;118(43):12518-30. doi: 10.1021/jp506876v. Epub 2014 Oct 20.
J Phys Chem B. 2014.
PMID: 25296001
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A new QM/MM method oriented to the study of ionic liquids.
Sánchez ML, Corchado JC, Martín ME, Galván IF, Barata-Morgado R, Aguilar MA.
Sánchez ML, et al. Among authors: barata morgado r.
J Comput Chem. 2015 Sep 30;36(25):1893-901. doi: 10.1002/jcc.24023. Epub 2015 Jul 24.
J Comput Chem. 2015.
PMID: 26213207
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