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The Journal of Physical Chemistry Letters
|
August 21, 2015
Toward Ab Initio Anharmonic Vibrational Circular Dichroism Spectra in the Condensed Phase
Chiara Cappelli, Julien Bloino, Filippo Lipparini, et al.
Journal of Computational Chemistry
|
December 24, 2024
A Polarizable CASSCF/MM Approach Using the Interface Between OpenMMPol Library and Cfour
Tommaso Nottoli, Mattia Bondanza, Filippo Lipparini, et al.
The Journal of Chemical Physics
|
July 9, 2021
An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavone
Michele Nottoli, Mattia Bondanza, Filippo Lipparini, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Self-Consistent Field and Polarizable Continuum Model: A New Strategy of Solution for the Coupled Equations
Filippo Lipparini, Giovanni Scalmani, Benedetta Mennucci, et al.
Journal of Chemical Theory and Computation
|
November 20, 2020
A Many-Body, Fully Polarizable Approach to QM/MM Simulations
Eleftherios Lambros, Filippo Lipparini, Gerardo Andrés Cisneros, et al.
Chemical Science
|
May 27, 2021
Uncatalyzed conjugate addition of organozinc halides to enones in DME: a combined experimental/computational study on the role of the solvent and the reaction mechanism
Gianluca Casotti, Gianluca Ciancaleoni, Filippo Lipparini, et al.
The Journal of Physical Chemistry. A
|
September 15, 2022
Trajectory Surface Hopping for a Polarizable Embedding QM/MM Formulation
Mattia Bondanza, Baptiste Demoulin, Filippo Lipparini, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Achieving linear scaling in computational cost for a fully polarizable MM/continuum embedding
Stefano Caprasecca, Sandro Jurinovich, Louis Lagardère, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Fast Domain Decomposition Algorithm for Continuum Solvation Models: Energy and First Derivatives
Filippo Lipparini, Benjamin Stamm, Eric Cancès, et al.
Journal of Chemical Theory and Computation
|
March 4, 2026
Solvation Lies Within: Simulating Condensed-Phase Properties from Local Electronic Structures
Kasper F Schaltz, Jonas Greiner, Filippo Lipparini, et al.
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Search research articles
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Showing results (31-40 of 105) with videos related to
Sort By:
Page
of 11
The Journal of Physical Chemistry Letters
|
August 21, 2015
Toward Ab Initio Anharmonic Vibrational Circular Dichroism Spectra in the Condensed Phase
Chiara Cappelli, Julien Bloino, Filippo Lipparini, et al.
Journal of Computational Chemistry
|
December 24, 2024
A Polarizable CASSCF/MM Approach Using the Interface Between OpenMMPol Library and Cfour
Tommaso Nottoli, Mattia Bondanza, Filippo Lipparini, et al.
The Journal of Chemical Physics
|
July 9, 2021
An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavone
Michele Nottoli, Mattia Bondanza, Filippo Lipparini, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Self-Consistent Field and Polarizable Continuum Model: A New Strategy of Solution for the Coupled Equations
Filippo Lipparini, Giovanni Scalmani, Benedetta Mennucci, et al.
Journal of Chemical Theory and Computation
|
November 20, 2020
A Many-Body, Fully Polarizable Approach to QM/MM Simulations
Eleftherios Lambros, Filippo Lipparini, Gerardo Andrés Cisneros, et al.
Chemical Science
|
May 27, 2021
Uncatalyzed conjugate addition of organozinc halides to enones in DME: a combined experimental/computational study on the role of the solvent and the reaction mechanism
Gianluca Casotti, Gianluca Ciancaleoni, Filippo Lipparini, et al.
The Journal of Physical Chemistry. A
|
September 15, 2022
Trajectory Surface Hopping for a Polarizable Embedding QM/MM Formulation
Mattia Bondanza, Baptiste Demoulin, Filippo Lipparini, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Achieving linear scaling in computational cost for a fully polarizable MM/continuum embedding
Stefano Caprasecca, Sandro Jurinovich, Louis Lagardère, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Fast Domain Decomposition Algorithm for Continuum Solvation Models: Energy and First Derivatives
Filippo Lipparini, Benjamin Stamm, Eric Cancès, et al.
Journal of Chemical Theory and Computation
|
March 4, 2026
Solvation Lies Within: Simulating Condensed-Phase Properties from Local Electronic Structures
Kasper F Schaltz, Jonas Greiner, Filippo Lipparini, et al.
Page
of 11