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Molecules (Basel, Switzerland)|September 28, 2023
CO<sub>2</sub> Capture and Release in Amine Solutions: To What Extent Can Molecular Simulations Help Understand the Trends?Changru Ma, Fabio Pietrucci, Wanda AndreoniPhysical Review Letters|March 16, 2007
Anomalous behavior of the dielectric constant of hafnium silicates: a first principles studyCarlo A Pignedoli, Alessandro Curioni, Wanda AndreoniPhysical Review Letters|May 21, 2005
Ab initio design of high-k dielectrics: La(x)Y1-xAlO3Stephen A Shevlin, Alessandro Curioni, Wanda AndreoniJournal of Chemical Theory and Computation|November 26, 2015
Bridging Static and Dynamical Descriptions of Chemical Reactions: An ab Initio Study of CO2 Interacting with Water MoleculesGrégoire A Gallet, Fabio Pietrucci, Wanda AndreoniChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 7, 2005
Disproving a silicon analog of an alkyne with the aid of topological analyses of the electronic structure and ab initio molecular dynamics calculationsCarlo A Pignedoli, Alessandro Curioni, Wanda AndreoniPhysical Review Letters|March 16, 2007
Towards a parameter-free characterization of charge transfer via hopping: the case of tris(8-hydroxyquinolato) aluminumSalomon R Billeter, Alessandro Curioni, Wanda AndreoniChembiochem : a European Journal of Chemical Biology|March 5, 2003
The binding mode of progesterone to its receptor deduced from molecular dynamics simulationsTiziana Mordasini, Alessandro Curioni, Roberta Bursi, et al.Physical Review Letters|July 13, 2004
Effects of nitridation on the characteristics of silicon dioxide: dielectric and structural properties from ab initio calculationsDominik Fischer, Alessandro Curioni, Salomon Billeter, et al.Journal of Chemical Theory and Computation|November 22, 2015
The Fate of a Zwitterion in Water from ab Initio Molecular Dynamics: Monoethanolamine (MEA)-CO2Ciro A Guido, Fabio Pietrucci, Grégoire A Gallet, et al.Physical Review Letters|January 17, 2012
Large-scale simulations of a-Si:H: the origin of midgap states revisitedP A Khomyakov, Wanda Andreoni, N D Afify, et al.Pageof 3