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Filippo Lipparini

Showing results (81-90 of 105) with videos related to

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Chemical Science|October 8, 2019
Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddingsDaniele Loco, Louis Lagardère, Gérardo A Cisneros, et al.
Physical Chemistry Chemical Physics : PCCP|May 8, 2024
Changing aromatic properties through stacking: the face-to-face dimer of Ni(II) bis(pentafluorophenyl)norcorroleQian Wang, Dage Sundholm, Jürgen Gauss, et al.
Physical Review Letters|July 1, 2020
Vibrational Excitation Hindering an Ion-Molecule Reaction: The c-C_{3}H_{2}^{+}-H_{2} Collision ComplexCharles R Markus, Oskar Asvany, Thomas Salomon, et al.
Journal of Chemical Theory and Computation|October 30, 2015
Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: II.Towards Massively Parallel Computations using Smooth Particle Mesh EwaldLouis Lagardère, Filippo Lipparini, Étienne Polack, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Scalable evaluation of polarization energy and associated forces in polarizable molecular dynamics: II. Toward massively parallel computations using smooth particle mesh EwaldLouis Lagardère, Filippo Lipparini, Étienne Polack, et al.
The Journal of Physical Chemistry Letters|August 14, 2015
Quantum Calculations in Solution for Large to Very Large Molecules: A New Linear Scaling QM/Continuum ApproachFilippo Lipparini, Louis Lagardère, Giovanni Scalmani, et al.
The Journal of Chemical Physics|November 17, 2014
Quantum, classical, and hybrid QM/MM calculations in solution: general implementation of the ddCOSMO linear scaling strategyFilippo Lipparini, Giovanni Scalmani, Louis Lagardère, et al.
Chemistryopen|July 25, 2024
Transition Metal-Driven Selectivity in Direct C-H Arylation of Imidazo[2,1-b]ThiazoleAntonio Del Vecchio, Elisabetta Rosadoni, Lorenzo Ballerini, et al.
The Journal of Organic Chemistry|October 15, 2022
A Unique and Stable Polyproline I Helix Sorted out from Conformational Equilibrium by Solvent PolarityMatteo Pollastrini, Luca Pasquinelli, Marcin Górecki, et al.
Journal of Chemical Theory and Computation|October 31, 2015
Polarizable molecular dynamics in a polarizable continuum solventFilippo Lipparini, Louis Lagardère, Christophe Raynaud, et al.
Pageof 11

Showing results (81-90 of 105) with videos related to

Sort By:
Pageof 11
Chemical Science|October 8, 2019
Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddingsDaniele Loco, Louis Lagardère, Gérardo A Cisneros, et al.
Physical Chemistry Chemical Physics : PCCP|May 8, 2024
Changing aromatic properties through stacking: the face-to-face dimer of Ni(II) bis(pentafluorophenyl)norcorroleQian Wang, Dage Sundholm, Jürgen Gauss, et al.
Physical Review Letters|July 1, 2020
Vibrational Excitation Hindering an Ion-Molecule Reaction: The c-C_{3}H_{2}^{+}-H_{2} Collision ComplexCharles R Markus, Oskar Asvany, Thomas Salomon, et al.
Journal of Chemical Theory and Computation|October 30, 2015
Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: II.Towards Massively Parallel Computations using Smooth Particle Mesh EwaldLouis Lagardère, Filippo Lipparini, Étienne Polack, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Scalable evaluation of polarization energy and associated forces in polarizable molecular dynamics: II. Toward massively parallel computations using smooth particle mesh EwaldLouis Lagardère, Filippo Lipparini, Étienne Polack, et al.
The Journal of Physical Chemistry Letters|August 14, 2015
Quantum Calculations in Solution for Large to Very Large Molecules: A New Linear Scaling QM/Continuum ApproachFilippo Lipparini, Louis Lagardère, Giovanni Scalmani, et al.
The Journal of Chemical Physics|November 17, 2014
Quantum, classical, and hybrid QM/MM calculations in solution: general implementation of the ddCOSMO linear scaling strategyFilippo Lipparini, Giovanni Scalmani, Louis Lagardère, et al.
Chemistryopen|July 25, 2024
Transition Metal-Driven Selectivity in Direct C-H Arylation of Imidazo[2,1-b]ThiazoleAntonio Del Vecchio, Elisabetta Rosadoni, Lorenzo Ballerini, et al.
The Journal of Organic Chemistry|October 15, 2022
A Unique and Stable Polyproline I Helix Sorted out from Conformational Equilibrium by Solvent PolarityMatteo Pollastrini, Luca Pasquinelli, Marcin Górecki, et al.
Journal of Chemical Theory and Computation|October 31, 2015
Polarizable molecular dynamics in a polarizable continuum solventFilippo Lipparini, Louis Lagardère, Christophe Raynaud, et al.
Pageof 11