Ruiz-Lopez, M. F. (Manuel F.)
Ruiz-Lopez, Manuel F., 19..-....
Manuel F Ruiz-López researcher
Ruiz-Lopez, Manuel F.
Ruiz-López, Manuel Felipe.
Ruiz-López, M.F.
VIAF ID: 31694817 ( Personal )
Permalink: http://viaf.org/viaf/31694817
Preferred Forms
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100 0 _ ‡a Manuel F Ruiz-López ‡c researcher
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100 1 _ ‡a Ruiz-Lopez, M. F. ‡q (Manuel F.)
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100 1 _ ‡a Ruiz-Lopez, Manuel F.
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100 1 _ ‡a Ruiz-Lopez, Manuel F., ‡d 19..-....
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4xx's: Alternate Name Forms (11)
Works
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9th Congress on Electronic Structure: Principles and Applications (ESPA 2014) : A Conference Selection from Theoretical Chemistry Accounts |
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Application of theoretical methods to the study of metallocenes catalysts for propylene polymerization. |
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The Aqueous Surface as an Efficient Transient Stop for the Reactivity of Gaseous NO<sub>2</sub> in Liquid Water |
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Calcul théorique de spectres d'absorption X avec l'approche de la fonctionnelle de la densité (DFT) |
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Combined QM/MM calculations in chemistry and biochemistry |
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Computational Insights into the CH3 Cl+OH Chemical Reaction Dynamics at the Air-Water Interface. |
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Contributions to the development of a biomolecular classical force field dedicaced to the vibrational spectroscopy. |
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A Cost-Effective Method for Free-Energy Minimization in Complex Systems with Elaborated Ab Initio Potentials |
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Développement et application de méthodes basées sur les orbitales moléculaires extrêmement localisées. |
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Effets de la complexation de métaux avec des disaccharides d'héparine : une approche combinant expérience et théorie. |
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Electronic Interactions in Iminophosphorane Superbase Complexes with Carbon Dioxide. |
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Etude théorique de processus chimiques et photochimiques impliquant l'oxyde de carbonyle dans l'atmosphère |
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Etude théorique de réactions chimiques en phase liquide à l'aide du modèle du champ de réaction auto-cohérent |
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Étude théorique des effets statiques et dynamiques d'environnement sur le mécanisme de relais de proton impliquant le cycle imidazole |
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Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy |
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Méthodes de modélisation en synthèse asymétrique : étude de la réduction d'α-cétoesters glycosylés |
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Modèles théoriques de la réaction d'hydrolyse enzymatique de peptides par la thermolysine |
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Modeling of enzymatic recognition and catalysis : methodological developments and determination of class A Methionine Sulfoxide Reductases mechanism. |
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Modélisation du mécanisme catalytique de l'urate oxydase |
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A New Mechanism of Acid Rain Generation from HOSO at the Air-Water Interface |
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Photochemistry of SO at the Air-Water Interface: A Source of OH and HOSO Radicals |
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Quantum mechanics-based methods for the refinement of crystal structures and the analysis of non-covalent interactions |
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Reaching multi-nanosecond timescales in combined QM/MM molecular dynamics simulations through parallel horsetail sampling. |
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Reactivity of Undissociated Molecular Nitric Acid at the Air-Water Interface |
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Simulation de processus chimiques en phase liquide par des méthodes hybrides DFT/MM |
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Structure and reactivity of mixed organolithium aggregates-A theoretical study. |
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Theoretical Investigation of the Photoexcited NO2 +H2 O reaction at the Air-Water Interface and Its Atmospheric Implications |
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Theoretical models of chemical reactions |
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Theoretical study of the mechanisms of combustion of alkenes at low temperature. |
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Theoretical study of the static and dynamic effects of the environment on proton relay mechanism involving imidazole ring. |
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Vibrational Spectroscopy in Solution through Perturbative ab Initio Molecular Dynamics Simulations |
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