Marcelo Galván

A direct evaluation of regional Fukui functions in molecules

Renato Contreras, Patricio Fuentealba, Marcelo Galván et al. · Chemical Physics Letters · 1999 · 496 citations

Natural Sciences, Molecular Biology, Computational Chemistry +4

Chemical reactivity in spin-polarized density functional theory

Marcelo Galván, Alberto Vela, José L. Gázquez · The Journal of Physical Chemistry · 1988 · 165 citations

Jose L. Gazquezcite, Engineering, Magnetic Resonance +21

Theory of adsorption of atoms and molecules on Si(111)-(7 × 7)

K. D. Brommer, Marcelo Galván, A. Dal Pino et al. · Surface Science · 1994 · 160 citations

Engineering, Surface Chemistry, Surface Science +6

Is the Fukui Function a Right Descriptor of Hard−Hard Interactions?

Junia Melin, Felipe Aparicio, V. Subramanian et al. · The Journal of Physical Chemistry A · 2004 · 150 citations

Biochemistry, Natural Sciences, Soft−soft Interactions +9

Density Functional Theory Study of the Cooperativity of Hydrogen Bonds in Finite and Infinite α-Helices

Joel Ireta, Jörg Neugebauer, Matthias Scheffler et al. · The Journal of Physical Chemistry B · 2003 · 106 citations

Peptide Science, Infinite Polyalanine Chains, Chemistry +19