| 1 |
How Methylation Modifies the Photophysics of the Native All-trans-Retinal Protonated Schiff Base: A CASPT2/MD Study in Gas Phase and in Methanol
Barata-Morgado R, Sanchez ML, Munoz-Losa A, Martin ME, del Valle FJO, Aguilar MA
Journal of Physical Chemistry A, 122(11), 3096, 2018 |
| 2 |
Substituent and Solvent Effects on the UV-vis Absorption Spectrum of the Photoactive Yellow Protein Chromophore
Garcia-Prieto FF, Aguilar MA, Galvan IF, Munoz-Losa A, del Valle FJO, Sanchez ML, Martin ME
Journal of Physical Chemistry A, 119(21), 5504, 2015 |
| 3 |
Theoretical Study of the Competition between Intramolecular Hydrogen Bonds and Solvation in the Cys-Asn-Ser Tripeptide
Soriano-Correa C, del Valle FJO, Munoz-Losa A, Galvan IF, Martin ME, Aguilar MA
Journal of Physical Chemistry B, 114(27), 8961, 2010 |
| 4 |
Geometry optimization of molecules in solution: Joint use of the mean field approximation and the free-energy gradient method
Galvan IF, Sanchez ML, Martin ME, del Valle FJO, Aguilar MA
Journal of Chemical Physics, 118(1), 255, 2003 |
| 5 |
A theoretical study of liquid alcohols using averaged solvent electrostatic potentials obtained from molecular dynamics simulations: Methanol, ethanol and propanol
Martin ME, Sanchez ML, del Valle FJO, Aguilar MA
Journal of Chemical Physics, 116(4), 1613, 2002 |
| 6 |
Theoretical calculation of the Stark component of the solute-solvent interaction energy. Validity of the mean field approximation in the study of liquids and solutions
Sanchez ML, Martin ME, Galvan IF, del Valle FJO, Aguilar MA
Journal of Physical Chemistry B, 106(18), 4813, 2002 |
| 7 |
A multiconfiguration self-consistent field/molecular dynamics study of the (n ->pi(*))(1) transition of carbonyl compounds in liquid water
Martin ME, Sanchez ML, del Valle FJO, Aguilar MA
Journal of Chemical Physics, 113(15), 6308, 2000 |
