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Gerardo Raggi

Showing results (1-10 of 5) with videos related to

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Physical Chemistry Chemical Physics : PCCP|October 25, 2013
Surface-charge distribution on a dielectric sphere due to an external point charge: examples of C60 and C240 fullerenesGerardo Raggi, Anthony J Stace, Elena Bichoutskaia
Journal of Chemical Theory and Computation|December 31, 2020
Restricted-Variance Constrained, Reaction Path, and Transition State Molecular Optimizations Using Gradient-Enhanced KrigingIgnacio Fdez Galván, Gerardo Raggi, Roland Lindh
Journal of Chemical Theory and Computation|November 2, 2020
Halogen Bond of Halonium Ions: Benchmarking DFT Methods for the Description of NMR Chemical ShiftsDaniel Sethio, Gerardo Raggi, Roland Lindh, et al.
Journal of Chemical Theory and Computation|May 7, 2020
Restricted-Variance Molecular Geometry Optimization Based on Gradient-Enhanced KrigingGerardo Raggi, Ignacio Fdez Galván, Christian L Ritterhoff, et al.
Journal of Chemical Theory and Computation|May 22, 2023
The OpenMolcas <i>Web</i>: A Community-Driven Approach to Advancing Computational ChemistryGiovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, et al.
Pageof 1

Showing results (1-10 of 5) with videos related to

Sort By:
Pageof 1
Physical Chemistry Chemical Physics : PCCP|October 25, 2013
Surface-charge distribution on a dielectric sphere due to an external point charge: examples of C60 and C240 fullerenesGerardo Raggi, Anthony J Stace, Elena Bichoutskaia
Journal of Chemical Theory and Computation|December 31, 2020
Restricted-Variance Constrained, Reaction Path, and Transition State Molecular Optimizations Using Gradient-Enhanced KrigingIgnacio Fdez Galván, Gerardo Raggi, Roland Lindh
Journal of Chemical Theory and Computation|November 2, 2020
Halogen Bond of Halonium Ions: Benchmarking DFT Methods for the Description of NMR Chemical ShiftsDaniel Sethio, Gerardo Raggi, Roland Lindh, et al.
Journal of Chemical Theory and Computation|May 7, 2020
Restricted-Variance Molecular Geometry Optimization Based on Gradient-Enhanced KrigingGerardo Raggi, Ignacio Fdez Galván, Christian L Ritterhoff, et al.
Journal of Chemical Theory and Computation|May 22, 2023
The OpenMolcas <i>Web</i>: A Community-Driven Approach to Advancing Computational ChemistryGiovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, et al.
Pageof 1