Pedro Salvador Sedano

Papers authored by Pedro Salvador Sedano

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2004 Pedro Salvador

, J. J. Dannenberg

Dependence upon Basis Sets of trans Hydrogen-Bond13C−15N 3-Bond and Other Scalar J-Couplings in Amide Dimers Used as Peptide Models. A Density Functional Theory Study

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P. Salvador

, I. Mayer

Energy partitioning for “fuzzy” atoms

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Pedro Salvador Sedano

, István Mayer

Second-order Møller-Plesset perturbation theory without basis set superposition error : II : open-shell systems

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I. Mayer, P. Salvador

Overlap populations, bond orders and valences for ‘fuzzy’ atoms

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2003 Pedro Salvador

, Małgorzata M. Szczȩśniak

Counterpoise-corrected geometries and harmonic frequencies ofN-body clusters: Application to (HF)n (n=3,4)

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Pedro Salvador

, Joseph E. Curtis, Douglas J. Tobias, Pavel Jungwirth

Polarizability of the nitrate anion and its solvation at the air/water interface

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2002 Pedro Salvador

, Miquel Duran, J. J. Dannenberg

Counterpoise Corrected Ion/Molecule Complexes Using Two or Three Fragments

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Pedro Salvador Sedano

, Miquel Duran i. Portas, Xavier Fradera i. Llinàs

A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components

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2001 P. Salvador

, M. Duran, I. Mayer

One- and two-center energy components in the atoms in molecules theory

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P. Salvador

, B. Paizs, M. Duran, S. Suhai

On the effect of the BSSE on intermolecular potential energy surfaces. Comparison of a priori and a posteriori BSSE correction schemes

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2000 Béla Paizs, Bé la Paizs, Pedro Salvador

, Attila G. Cs�sz�r, Attila G. Császár, Miquel Duran, Sándor Suhai

Intermolecular Bond Lengths: Extrapolation to the Basis Set Limit on Uncorrected and BSSE-Corrected Potential Energy Hypersurfaces

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Pedro Salvador Sedano

, Xavier Fradera i. Llinàs, Miquel Duran i. Portas, Miquel Duran i. Portas

Effect of basis set superposition error on the electron density of molecular complexes

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P. Salvador

, S. Simon, M. Duran, J. J. Dannenberg

C-H center dot center dot center dot O H-bonded complexes: How does basis set superposition error change their potential-energy surfaces?

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1999 M. C. Daza, J. A. Dobado, J. M. Molina, P. Salvador

, M. Duran, J. L. Villaveces

Basis set superposition error-counterpoise corrected potential energy surfaces. Application to hydrogen peroxide center dot center dot center dot X (X=F-, Cl-, Br-, Li+, Na+) complexes

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P. Salvador

, M. Duran

The effect of counterpoise correction and relaxation energy term to the internal rotation barriers: Application to the BF3 center dot center dot center dot NH3 and C2H4 center dot center dot center dot SO2 dimers

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Papers authored by Pedro Salvador Sedano