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Manuel F. Ruiz-López:
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Publications of Author
- Xavier Assfeld, Manuel F. Ruiz-López, J. Gonzalez, Ramón López, José A. Sordo, Tomás L. Sordo Gonzalo
Theoretical Analysis of the Role of the Solvent on the Reaction on the Reaction Mechanismus: One-Step versus Two-Step Ketene-Imine Cycloaddition. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1994, v:15, n:5, pp:479-487 [Journal]
- P. Aplincourt, Manuel F. Ruiz-López, Xavier Assfeld, F. Bohr
Structure of isolated and solvated peroxyl radicals. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1999, v:20, n:10, pp:1039-1048 [Journal]
- Margarita Isabel Bernal-Uruchurtu, Marilia T. C. Martins-Costa, Claude Millot, Manuel F. Ruiz-López
Improving description of hydrogen bonds at the semiempirical level: water-water interactions as test case. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2000, v:21, n:7, pp:572-581 [Journal]
- Carles Curutchet, Christopher J. Cramer, Donald G. Truhlar, Manuel F. Ruiz-López, Daniel Rinaldi, Modesto Orozco, F. Javier Luque
Electrostatic component of solvation: Comparison of SCRF continuum models. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2003, v:24, n:3, pp:284-297 [Journal]
- Jérôme Golebiowski, Véronique Lamare, Manuel F. Ruiz-López
Rb+/Cs+ selectivity of benzo and tribenzo derivatives of the 21C7 crown ether. A density functional study. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2002, v:23, n:7, pp:724-731 [Journal]
- G.-S. Li, Bernard Maigret, Daniel Rinaldi, Manuel F. Ruiz-López
Influence of environment on proton-transfer mechanisms in model triads from theoretical calculations. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1998, v:19, n:15, pp:1675-1688 [Journal]
- Jesús Pitarch, Juan-Luis Pascual-Ahuir, Estanislao Silla, Iñaki Tuñón, Manuel F. Ruiz-López
Modeling -lactam interactions in aqueous solution through combined quantum mechanics-molecular mechanics methods. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1999, v:20, n:13, pp:1401-1411 [Journal]
- E. Del Río, Ramón López, María Isabel Menéndez Rodríguez, Tomás Luis Sordo, Manuel F. Ruiz-López
Theoretical study of ester enolate-imine condensation route to -lactams. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1998, v:19, n:16, pp:1826-1833 [Journal]
- Iñaki Tuñón, Marilia T. C. Martins-Costa, Claude Millot, Manuel F. Ruiz-López, Jean-Louis Rivail
A coupled density functional-molecular mechanics Monte Carlo simulation method: The water molecule in liquid water. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1996, v:17, n:1, pp:19-29 [Journal]
- Iñaki Tuñón, Manuel F. Ruiz-López, Daniel Rinaldi, Juan Bertrán
Computation of hydration free energies using a parameterized continuum model: Study of equilibrium geometries and reactive processes in water solution. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1996, v:17, n:2, pp:148-155 [Journal]
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