Dr. Marcelo
Galván Espinosa Profesor Titular C de Tiempo
Completo
Investigador Nacional Nivel III
Departamento de Química, UAM-Iztapalapa Area de
Fisicoquímica Teórica Tel: (55)5804-6400 ext 3277, fax: (5)804-4666. Lab: AT-251 e-mail: mgalvan@xanum.uam.mx
Theoretical Investigations of Oxygen-17
NMR Chemical Shifts to Discriminate among Helical Forms, Itzam De Gortari,
Marcelo Galvan, Joel Ireta, Matthew Segall, Chris J. Pickard, Mike Payne,
J. Phys. Chem. A 111 13099-13105 (2007)
Nucleophilicity index from perturbed
electrostatic potentials, Cedillo A., Contreras R, Galvan, M.,
Aizman, A.Andres, J. Phys. Chem. A 111(12) 2442-2447 (2007).
Potential energy landscape of monolayer
surface system governed by repulsive lateral interactions: the case of
(3x3)-I-Pt(111), A. Tkatchenko, N. Batina,
M. Galvan, Phys. Rev. Lett. 97(3) 036102 (2006).
The Effect of Double Bonds on the
Conducting Properties of Ciguatoxin 3C and Tetrahydropyrane Based Polymers,
Myrna H. Matus, Jorge Garza y Marcelo Galván, J. Phys. Chem. B,
110(3) 1172-1178 (2006).
Comparison between the frozen core and
finite differences approximations for the generalized spin-dependent
global and local reactivity descriptors in small molecules, Garza, J,
Vargas, R., Cedillo, A., Galvan, M., Chattaraj, P.K. Theor. Chim Acc. 115,
257-265 (2006).
Adsorption site. Core level shifts and
charge transfer on the Pd(111)-I(root3xroot3)surface, M. Gothelid, H. von
Schenck, J. Weissendrieder, B. Akerman, A. Tkatchenko, M. Galvan Surf.
Sci. 600(15) 3093-3098 (2006)
Structural Transitions in the Polyalanine a-Helix under Uniaxial Strain, Joel Ireta, Jorg Neugebauer, Matthias
Scheffler, Arturo Rojo y Marcelo Galván, J. Am. Chem. Soc., 127, 17241-17244
(2005)
Is the fukui function a right descriptor of
hard-hard interactions?, J. Melin, F. Aparicio, V. Subramanian, M. Galvan,
P.K. Chattaraj,J. Phys. Chem.
A, 108, 2487 (2004)
On the existence of electronic states
confined by charged groups in proteins, F. Aparicio, J. Ireta, A. Rojo, L.
Escobar, A. Cedillo y M . Galván, J. Phys. Chem. B, 107,
1692-1697, (2003)
Chemical Reactivity in the (N,Ns,v(r))
space, J. Melin, F. Aparicio, M. Galvan, P. Fuentealba, R. Contreras, J.
Phys. Chem, A 107(19), 3831-3835, (2003)
Local reactivity
of Charybdotoxin, a K+ channel blocker.J. Ireta, M. Galvan, K. Cho, y J.D.
Joannopoulos.
J. Am. Chem. Soc. 120, 9771
(1998).