Pedro Salvador
Pedro Salvador
Department of Chemistry, Institut de Quimica Computacional i Catalisi, Universitat de Girona
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Cited by
Cited by
Gaussian 98, rev
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
A11, 1998
Overlap populations, bond orders and valences for [] fuzzy'atoms
I Mayer, P Salvador
Chemical physics letters 383 (3-4), 368-375, 2004
Electron sharing indexes at the correlated level. Application to aromaticity calculations
E Matito, M Solà, P Salvador, M Duran
Faraday Discuss. 135 (0), 325-345, 2006
Polarizability of the nitrate anion and its solvation at the air/water interface
P Salvador, JE Curtis, DJ Tobias, P Jungwirth
Phys. Chem. Chem. Phys. 5 (17), 3752-3757, 2003
Comparison of the AIM delocalization index and the mayer and fuzzy atom bond orders
E Matito, J Poater, M Solà, M Duran, P Salvador
The Journal of Physical Chemistry A 109 (43), 9904-9910, 2005
On the effect of the BSSE on intermolecular potential energy surfaces. Comparison of a priori and a posteriori BSSE correction schemes
P Salvador, B Paizs, M Duran, S Suhai
Journal of Computational Chemistry 22 (7), 765-786, 2001
Energy partitioning for “fuzzy” atoms
P Salvador, I Mayer
The Journal of chemical physics 120, 5046, 2004
One-and two-center energy components in the atoms in molecules theory
P Salvador, M Duran, I Mayer
The Journal of Chemical Physics 115, 1153, 2001
Intramolecular basis set superposition error effects on the planarity of benzene and other aromatic molecules: A solution to the problem
D Asturiol, M Duran, P Salvador
The Journal of chemical physics 128, 144108, 2008
Basis set superposition error-counterpoise corrected potential energy surfaces. Application to hydrogen peroxide⋯ X (X= F, Cl, Br, Li, Na) complexes
MC Daza, JA Dobado, JM Molina, P Salvador, M Duran, JL Villaveces
The Journal of chemical physics 110, 11806, 1999
The molecular basis for antimicrobial activity of pore-forming cyclic peptides
AD Cirac, G Moiset, JT Mika, A Koçer, P Salvador, B Poolman, SJ Marrink, ...
Biophysical Journal 100, 2422-2431, 2011
Aromaticity measures from Fuzzy-Atom Bond Orders (FBO). The Aromatic fluctuation (FLU) and the para-delocalization (PDI) indexes
E Matito, P Salvador, M Duran, M Solà
The Journal of Physical Chemistry A 110 (15), 5108-5113, 2006
Intermolecular bond lengths: extrapolation to the basis set limit on uncorrected and BSSE‐corrected potential energy hypersurfaces
B Paizs, P Salvador, AG Császár, M Duran, S Suhai
Journal of Computational Chemistry 22 (2), 196-207, 2001
Calculation of trans-hydrogen-bond 13C-15N three-bond and other scalar J-couplings in cooperative peptide models. A density functional theory study
P Salvador, N Kobko, R Wieczorek, JJ Dannenberg
Journal of the American Chemical Society 126 (43), 14190-14197, 2004
Counterpoise-corrected geometries and harmonic frequencies of N-body clusters: Application to (HF)(n= 3, 4)
P Salvador, MM Szcześniak
The Journal of chemical physics 118, 537, 2003
Counterpoise corrected ion/molecule complexes using two or three fragments
P Salvador, M Duran, JJ Dannenberg
The Journal of Physical Chemistry A 106 (29), 6883-6889, 2002
C–H⋯ O H-bonded complexes: How does basis set superposition error change their potential-energy surfaces?
P Salvador, S Simon, M Duran, JJ Dannenberg
The Journal of Chemical Physics 113, 5666, 2000
Toward a unique definition of the local spin
E Ramos-Cordoba, E Matito, I Mayer, P Salvador
Journal of chemical theory and computation 8 (4), 1270-1279, 2012
On the quality of the hardness kernel and the Fukui function to evaluate the global hardness
M Torrent‐Sucarrat, P Salvador, P Geerlings, M Solà
Journal of computational chemistry 28 (2), 574-583, 2007
Semiconductors' photoelectrochemistry: a kinetic and thermodynamic analysis in the light of equilibrium and nonequilibrium models
P Salvador
The Journal of Physical Chemistry B 105 (26), 6128-6141, 2001
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