Publications

Wiederschein, F., Vöhringer-Martinez, E.*, Beinsen, A., Postberg, F., Schmidt, J., Srama, R., Stolz, F., Grubmüllerller, H., Abel, B., 2015, Charge separation and isolation in strong water droplet impacts., Physical Chemistry Chemical Physics, 17, 6858—6864, DOI: 10.1039/c4cp05618c.

E. Vöhringer-Martinez*, C. Dörner, and B. Abel, 2014, On the electron affinity of cytosine in bulk water and at hydrophobic aqueous interfaces., Journal of Molecular Modeling, 20:2453-2456, DOI: 10.1007/s00894-014-2453-8.

Vöhringer-Martinez*, E.; Verstraelen T., Ayers, P., 2014. The Influence of Ser-154, Cys-113, and the Phosphorylated Threonine Residue on the Catalytic Reaction Mechanism of Pin1, Journal of Physical Chemistry B, 118:9871-9880, DOI:10.1021/jp505638w

E. Vöhringer-Martinez*, O. Link, E. Lugovoy, K.R. Siefermann, F. Wiederschein, H. Grubmüller, and B. Abel, 2014, Hydrogen bond dynamics of superheated water and methanol by ultrafast IR-pump and EUV-Photoelectron probe spectroscopy, Physical Chemistry Chemical Physics, 16:19365-19375,  DOI: 10.1039/c4cp02063d..

Vöhringer-Martinez*, E.; Duarte, F., Toro-Labbé, A., 2012. How Does Pin1 Catalyze the Cis-Trans Prolyl Peptide Bond Isomerization? A QM/MM and Mean Reaction Force Study, Journal of Physical Chemistry B, 116:12972–12979DOI:10.1021/jp307946h 

Vöhringer-Martinez*, E.; Toro-Labbé, A., 2012. Understanding the Physics and Chemistry of Reaction Mechanism from Atomic Contributions: A Reaction Force Perspective, Journal of Physical Chemistry A, 116:7419-7423. DOI:10.1021/jp303075k

Liu, Y; Burger, S., Ayers, P., Vöhringer-Marinez, E., 2011,  Computational Study of the Binding Modes of Caffeine to the Adenosine A2A Receptor, Journal of Physical Chemistry B, 115: 13880-13890. DOI:10.1021/jp2022049

Vöhringer-Martinez*, E.; Toro-Labbé, A., 2011. The mean reaction force: a method to study the influence of the environment on reaction mechanisms, Journal of Chemical Physics, 135:064505. 

Duarte, F.; Vöhringer-Martinez, E.; Toro-Labbé*, A., 2011. Insights on the mechanism of proton transfer reactions in amino acids. Physical Chemistry Chemical Physics, 13:7773-82.

Hargis, J.; Vöhringer-Martinez, E.; Woodcock, H L.; Toro-Labbé*, A.; Schaefer, H. F., 2011. Characterizing the mechanism of the double proton transfer in the formamide dimer, Journal of Physical Chemistry A, 115:2650-7. 

Vöhringer-Martinez*, E., Toro-Labbé, A., Amino Acids at Water-Vapor Interfaces: Surface Activity and Orientational Ordering, 2010, Journal of Physical Chemistry B, 114, 13005-13010.

Vöhringer-Martinez*, E., Toro-Labbé, A., The Role of Water in the pro- ton transfer reaction mechanism of tryptophan, 2010, Journal of Computational Chemistry, 31, 2642-2649.

Vöhringer-Martinez, E., Tellbach, E., Liessmann, M., Abel, A., Role of water complexes in the reaction of propionaldehyde with OH radicals, 2010, Journal of Physical Chemistry A, 114, 9720-9724.

Link, O., Vöhringer-Martinez, E., Lugovoj, E., Liu, Y., Siefermann, K., Faubel, M., Grubmüller, H., Gerber, R., Miller, Y., Abel, B., Ultrafast Phase Transition of Metastable Water Near Liquid Interfaces, 2009, Faraday Discussions Chemical Society, 141, 67-79.

Vöhringer-Martinez, E., Hansmann, B., Hernandez, H., Francisco, J. S., Troe, J., Abel, B., Water Catalysis of a Radical-Molecule Gas-Phase Reaction, 2007, Science, 315, 497-501.

© Esteban Vohringer-Martinez 2014