Búsqueda de Publicación - Prisma - Unidad de Bibliometría

Publicaciones en la fuente MOLECULAR SIMULATION

Tipo Año Título Fuente
Artículo2023RUPTURA: simulation code for breakthrough, ideal adsorption solution theory computations, and fitting of isotherm modelsMOLECULAR SIMULATION
Artículo2009Biomimetic trinuclear copper mixed-valence systems: electronic and magnetic parameters from ab initio calculationsMOLECULAR SIMULATION
Artículo2009Molecular dynamics simulation of the effect of pH on the adsorption of rhodamine laser dyes on TiO2 hydroxylated surfacesMOLECULAR SIMULATION
Artículo2009Molecular simulation study of the glass transition for a flexible model of linear alkanesMOLECULAR SIMULATION
Artículo2009Opposite effects of successive hydration shells on the aqua ion structure of metal cationsMOLECULAR SIMULATION
Artículo2009Structural models of random packing of spheres extended to bricks: simulation of the nanoporous calcium silicate hydratesMOLECULAR SIMULATION
Artículo2006Protein dynamics control of electron transfer in reaction centers from Rps. viridisMOLECULAR SIMULATION
Artículo2006The solvation of bromide anion in acetonitrile: a structural study based on the combination of theoretical calculations and X-ray absorption spectroscopyMOLECULAR SIMULATION
Artículo2003Wetting of planar surfaces by a Gay-Berne liquid crystalMOLECULAR SIMULATION
Artículo1995Mixtures of associating and nonassociating chains on activated surfaces - a Monte-Carlo approachMOLECULAR SIMULATION
Artículo1991A molecular simulation of a liquid-crystal model: Bulk and confined fluidMOLECULAR SIMULATION