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Journal of Computational Chemistry|June 9, 2022
Towards a transferable nonelectrostatic model for continuum solvation: The electrostatic and nonelectrostatic energy correction modelDario Vassetti, Frédéric LabatJournal of Computational Chemistry|March 27, 2020
Analytical calculation of the solvent-accessible surface area and its nuclear gradients by stereographic projection: A general approach for molecules, polymers, nanotubes, helices, and surfacesDario Vassetti, Bartolomeo Civalleri, Frédéric LabatJournal of Chemical Theory and Computation|January 30, 2019
Assessment of GAFF2 and OPLS-AA General Force Fields in Combination with the Water Models TIP3P, SPCE, and OPC3 for the Solvation Free Energy of Druglike Organic MoleculesDario Vassetti, Marco Pagliai, Piero ProcacciJournal of Chemical Theory and Computation|September 7, 2021
Generalizing Continuum Solvation in Crystal to Nonaqueous Solvents: Implementation, Parametrization, and Application to Molecules and SurfacesDario Vassetti, Ismail Can Oǧuz, Frédéric LabatThe Journal of Physical Chemistry. B|April 20, 2019
Imidazole in Aqueous Solution: Hydrogen Bond Interactions and Structural Reorganization with ConcentrationMarco Pagliai, Giada Funghi, Dario Vassetti, et al.The Journal of Physical Chemistry. A|July 14, 2026
Oligoterpenes Oxidation: Integrating Thermal Analysis Experiments and Ab Initio KineticsJonathan Honorien, Dario Vassetti, François Toche, et al.The Journal of Physical Chemistry. A|March 22, 2025
Ring-Opening Competes with Peroxidation in Fenchone Low-Temperature AutoignitionDario Vassetti, Giorgia Cenedese, Jonathan Honorien, et al.Pageof 1