Manuel Ruiz-Lopez
Affiliations: | Université de Lorraine |
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"Manuel Ruiz-Lopez"Mean distance: 10.53
Children
Sign in to add trainee| Xavier Assfeld | grad student | 1995 | University of Nancy (France) |
| Hassan K. Khartabil | grad student | 2005-2008 | University of Nancy (France) |
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Publications
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| Ruiz-López MF, Rivail JL. (2023) Quantum Chemistry in Solution: Fiftieth Anniversary. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. e202300176 |
| Anglada JM, Martins-Costa MTC, Francisco JS, et al. (2020) Reactivity of Undissociated Molecular Nitric Acid at the Air-Water Interface. Journal of the American Chemical Society |
| Bistafa C, Kitamura Y, Martins-Costa MTC, et al. (2019) Vibrational Spectroscopy in Solution Through Perturbative Ab Initio Molecular Dynamics Simulations. Journal of Chemical Theory and Computation |
| Bistafa C, Kitamura Y, Martins-Costa MTC, et al. (2018) A Cost-Effective Method for Free-Energy Minimization in Complex Systems with Elaborated Ab Initio Potentials. Journal of Chemical Theory and Computation |
| Ruiz-Lopez M, Martins-Costa M, Anglada JM. (2017) Computational insights into the CH3Cl + OH chemical reaction dynamics at the air-water interface. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry |
| Martins-Costa MT, García-Prieto FF, Ruiz-López MF. (2015) Reactivity of aldehydes at the air-water interface. Insights from molecular dynamics simulations and ab initio calculations. Organic & Biomolecular Chemistry. 13: 1673-9 |
| Farag MH, Ruiz-López MF, Bastida A, et al. (2015) Hydration Effect on Amide I Infrared Bands in Water: An Interpretation Based on an Interaction Energy Decomposition Scheme. The Journal of Physical Chemistry. B. 119: 9056-67 |
| Rivail JL, Ruiz-Lopez M, Assfeld X. (2015) Quantum modeling of complex molecular systems Quantum Modeling of Complex Molecular Systems. 1-523 |
| Marion A, Monard G, Ruiz-López MF, et al. (2014) Water interactions with hydrophobic groups: assessment and recalibration of semiempirical molecular orbital methods. The Journal of Chemical Physics. 141: 034106 |
| Farag MH, Bastida A, Ruiz-López MF, et al. (2014) Vibrational energy relaxation of the amide I mode of N-methylacetamide in D₂O studied through Born-Oppenheimer molecular dynamics. The Journal of Physical Chemistry. B. 118: 6186-97 |