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Results: 92

Pedro Salvador, István Mayer
Energy partitioning for fuzzy atoms
J. Chem. Phys., 2004, 120, 5046
DOI: 10.1063/1.1646354

Pedro Salvador, Małgorzata M. Szczȩśniak
Counterpoise-corrected geometries and harmonic frequencies of N-body clusters: Application to (HF)[sub n] (n=3,4)
J. Chem. Phys., 2003, 118, 537
DOI: 10.1063/1.1527011

Pedro Salvador, Joseph E. Curtis, Douglas J. Tobias, Pavel Jungwirth
Polarizability of the nitrate anion and its solvation at the air/water interface
Phys. Chem. Chem. Phys., 2003, 5, 3752-3757
DOI: 10.1039/b304537d

Pedro Salvador, Miquel Duran, Xavier Fradera
A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components
J. Chem. Phys., 2002, 116, 6443
DOI: 10.1063/1.1463439

Pedro Salvador, Miquel Duran, J. J. Dannenberg
Counterpoise Corrected Ion/Molecule Complexes Using Two or Three Fragments
J. Phys. Chem. A, 2002, 106, 6883-6889
DOI: 10.1021/jp0258457

Pedro Salvador, Miquel Duran, István Mayer
One- and two-center energy components in the atoms in molecules theory
J. Chem. Phys., 2001, 115, 1153
DOI: 10.1063/1.1381407

Bíla Paizs, Pedro Salvador, Attila G. Csíszír, Miquel Duran, Síndor Suhai
Intermolecular bond lengths: extrapolation to the basis set limit on uncorrected and BSSE-corrected potential energy hypersurfaces
J. Comput. Chem., 2001, 22, 196-207
DOI: 10.1002/jcc.1042

Pedro Salvador, Xavier Fradera, Miquel Duran
Effect of basis set superposition error on the electron density of molecular complexes
J. Chem. Phys., 2000, 112, 10106
DOI: 10.1063/1.481703

Pedro Salvador, Sílvia Simon, Miquel Duran, J. J. Dannenberg
C-H···O H-bonded complexes: How does basis set superposition error change their potential-energy surfaces?
J. Chem. Phys., 2000, 113, 5666
DOI: 10.1063/1.1290010