Hernández-Rodríguez, E. W.; Sánchez-García, E.; Crespo-Otero, R.; Montero-Alejo, A. L.; Montero, L. A.; Thiel, W. Understanding Rhodopsin Mutations Linked to the Retinitis Pigmentosa Disease: a QM/MM and DFT/MRCI Study. The Journal of Physical Chemistry B2012, 116, 1060–1076.
Sánchez-García, E.; Jansen, G. Competition between H···π and H···O Interactions in Furan Heterodimers. The Journal of Physical Chemistry A2012, 116, 5689–5697.
Sander, W.; Roy, S.; Polyak, I.; Ramirez-Anguita, J. M.; Sánchez-García, E. The Phenoxyl Radical–Water Complex—A Matrix Isolation and Computational Study. Journal of the American Chemical Society2012, 134, 8222–8230.
Metzelthin, A.; Sánchez-García, E.; Birer, O.; Schwaab, G.; Thiel, W.; Sander, W.; Havenith, M. Acetylene•••Furan Trimer Formation at 0.37 K as a Model for Ultracold Aggregation of Non- and Weakly Polar Molecules. ChemPhysChem2011, 12, 2009–2017.
Hsiao, Y.-W.; Sánchez-García, E.; Doerr, M.; Thiel, W. Quantum Refinement of Protein Structures: Implementation and Application to the Red Fluorescent Protein DsRed.M1. Journal of Physical Chemistry B2010, 114, 15413–15423.
Mardyukov, A.; Crespo-Otero, R.; Sánchez-García, E.; Sander, W. Photochemistry and Reactivity of the Phenyl Radical-Water System: A Matrix Isolation and Computational Study. Chemistry-A European Journal2010, 16, 8679–8689.
Sánchez-García, E.; Doerr, M.; Thiel, W. QM/MM Study of the Absorption Spectra of DsRed.M1 Chromophores. Journal of Computational Chemistry2010, 31, 1603–1612.
Metzelthin, A.; Birer, Ö.; Sánchez-García, E.; Havenith, M. High Resolution IR Spectroscopy of Acetylene-Furan in Ultracold Helium Nanodroplets. Journal of Chemical Physics2008, 129, 114307.
Shalini Yadav, a postdoctoral researcher at the Max-Planck-Institut für Kohlenforschung, has received the Alexander von Humboldt Fellowship to advance her computational chemistry research on enzymes.