M. Elena Martín

Origin, Nature, and Fate of the Fluorescent State of the Green Fluorescent Protein Chromophore at the CASPT2//CASSCF Resolution

M. Elena Martín, Fabrizia Negri, Massimo Olivucci · Journal of the American Chemical Society · 2004 · 320 citations

Geometry optimization of molecules in solution: Joint use of the mean field approximation and the free-energy gradient method

Ignacio Fdez. Galván, M. Luz Sánchez, M. Elena Martín et al. · The Journal of Chemical Physics · 2002 · 93 citations

Numerical Analysis, Engineering, Computational Chemistry +21

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

M. Luz Sánchez, M. Elena Martín, Ignacio Fdez. Galván et al. · The Journal of Physical Chemistry B · 2002 · 52 citations

Chemical Kinetics, Engineering, Experimental Thermodynamics +16

A new method to locate saddle points for reactions in solution by using the free‐energy gradient method and the mean field approximation

Ignacio Fdez. Galván, M. Elena Martín, M. Aguilar · Journal of Computational Chemistry · 2004 · 42 citations · Full text

Numerical Analysis, Engineering, Computational Chemistry +17

Theoretical Study of the Dual Fluorescence of 4-(<i>N</i>,<i>N</i>-Dimethylamino)benzonitrile in Solution

Ignacio Fdez. Galván, M. Elena Martín, M. Aguilar · Journal of Chemical Theory and Computation · 2010 · 36 citations