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Publicaciones


2012
Título Fecha de publicación
Flash Flow Pyrolysis: Mimicking Flash Vacuum Pyrolysis in a High-Temperature/High-Pressure Liquid-Phase Microreactor Environment 09/03/2012
2011
Título Fecha de publicación
Study on the conformational equilibrium of the alanine dipeptide in water solution by using the averaged solvent electrostatic potential from molecular dynamics methodology 18/11/2011
Aplicabilidad de la Supercomputación al Modelado de Sistemas Biomédicos 16/11/2011
Solvent Effects on the Radiative and Nonradiative Decay of a Model of the Rhodopsin Chromophore 04/11/2011
Extremadura democratiza el acceso a la supercomputación 18/10/2011
Theoretical study of the role of solvent Stark effect in electron transitions 01/10/2011
Dual Fluorescence of Fluorazene in Solution: A Computational Study 27/09/2011
Tautomerism in Schiff bases. The cases of 2-hydroxy-1-naphthaldehyde and 1-hydroxy-2-naphthaldehyde investigated in solution and the solid state 05/09/2011
On the enhanced reactivity and selectivity of triazole formation in molecular flasks. A theoretical rationale 31/08/2011
Supercomputing applied to Parallel Network Simulation 07/07/2011
The Computerworld Honors Program Case Study: CénitS 01/07/2011
Mechanistic Insights on the Ruthenium-Catalyzed Hydrogenation of Amides – C–N vs. C–O Cleavage 24/05/2011
Schiff Bases from TRIS and ortho-Hydroxyarenecarbaldehydes: Structures and Tautomeric Equilibria in the Solid State and in Solution 03/05/2011
Solvent Effects on the Structure and Spectroscopy of the Emitting States of 1-Phenylpyrrole 29/04/2011
Hydrazones from hydroxy naphthaldehydes and N-aminoheterocycles: Structure and stereodynamics 18/03/2011