Publicaciones en la fuente JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Tipo Año Título Fuente
Artículo2019NCI-ELMO: A New Method To Quickly and Accurately Detect Noncovalent Interactions in BiosystemsJOURNAL OF CHEMICAL THEORY AND COMPUTATION
Artículo2018Relevance of the Speed and Direction of Pulling in Simple Modular ProteinsJOURNAL OF CHEMICAL THEORY AND COMPUTATION
Artículo2015Hydration of Two Cisplatin Aqua-Derivatives Studied by Quantum Mechanics and Molecular Dynamics SimulationsJOURNAL OF CHEMICAL THEORY AND COMPUTATION
Artículo2015Quantum Entanglement and Chemical ReactivityJOURNAL OF CHEMICAL THEORY AND COMPUTATION
Artículo2013Hydration of Cisplatin Studied by an Effective Ab Initio Pair Potential Including Solute-Solvent PolarizationJOURNAL OF CHEMICAL THEORY AND COMPUTATION
Artículo2011Comparative study on the performance of hybrid DFT functionals in highly correlated oxides: the case of CeO2 and Ce2O3JOURNAL OF CHEMICAL THEORY AND COMPUTATION
Artículo2010Fisher Information Study in Position and Momentum Spaces for Elementary Chemical ReactionsJOURNAL OF CHEMICAL THEORY AND COMPUTATION
Artículo2010Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2 NanoclustersJOURNAL OF CHEMICAL THEORY AND COMPUTATION
Artículo2008Explaining Asymmetric Solvation of Pt(II) versus Pd(II) in Aqueous Solution Revealed by Ab Initio Molecular Dynamics SimulationsJOURNAL OF CHEMICAL THEORY AND COMPUTATION
Artículo2006Ligand field effects on the aqueous Ru(III)/Ru(II) redox couple from an all-atom density functional theory perspectiveJOURNAL OF CHEMICAL THEORY AND COMPUTATION