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Miquel Huix-Rotllant

Showing results (1-10 of 58) with videos related to

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Molecules (Basel, Switzerland)|October 13, 2021
Photochemistry of Thymine in Protic Polar Nanomeric Droplets Using Electrostatic Embeding TD-DFT/MMMiquel Huix-Rotllant
Journal of Chemical Theory and Computation|December 7, 2020
Analytic Energy, Gradient, and Hessian of Electrostatic Embedding QM/MM Based on Electrostatic Potential-Fitted Atomic Charges Scaling Linearly with the MM Subsystem SizeMiquel Huix-Rotllant, Nicolas Ferré
The Journal of Chemical Physics|July 17, 2014
Assessment of density functional theory based ΔSCF (self-consistent field) and linear response methods for longest wavelength excited states of extended π-conjugated molecular systemsMichael Filatov, Miquel Huix-Rotllant
Journal of Chemical Theory and Computation|September 20, 2016
An Effective Procedure for Analyzing Molecular Vibrations in Terms of Local Fragment ModesMiquel Huix-Rotllant, Nicolas Ferré
The Journal of Chemical Physics|April 10, 2014
Triplet state photochemistry and the three-state crossing of acetophenone within time-dependent density-functional theoryMiquel Huix-Rotllant, Nicolas Ferré
The Journal of Physical Chemistry. A|June 13, 2014
Theoretical study of the photochemical initiation in nitroxide-mediated photopolymerizationMiquel Huix-Rotllant, Nicolas Ferré
Physical Chemistry Chemical Physics : PCCP|April 13, 2019
Theoretical insights into the formation and stability of radical oxygen species in cryptochromesPadmabati Mondal, Miquel Huix-Rotllant
Topics in Current Chemistry|May 25, 2015
Many-Body Perturbation Theory (MBPT) and Time-Dependent Density-Functional Theory (TD-DFT): MBPT Insights About What Is Missing In, and Corrections To, the TD-DFT Adiabatic ApproximationMark E Casida, Miquel Huix-Rotllant
The Journal of Chemical Physics|August 3, 2019
Analytic QM/MM atomic charge derivatives avoiding the scaling of coupled perturbed equations with the MM subsystem sizeKarno Schwinn, Nicolas Ferré, Miquel Huix-Rotllant
The Journal of Chemical Physics|May 17, 2015
Ensemble density functional theory method correctly describes bond dissociation, excited state electron transfer, and double excitationsMichael Filatov, Miquel Huix-Rotllant, Irene Burghardt
Pageof 6

Showing results (1-10 of 58) with videos related to

Sort By:
Pageof 6
Molecules (Basel, Switzerland)|October 13, 2021
Photochemistry of Thymine in Protic Polar Nanomeric Droplets Using Electrostatic Embeding TD-DFT/MMMiquel Huix-Rotllant
Journal of Chemical Theory and Computation|December 7, 2020
Analytic Energy, Gradient, and Hessian of Electrostatic Embedding QM/MM Based on Electrostatic Potential-Fitted Atomic Charges Scaling Linearly with the MM Subsystem SizeMiquel Huix-Rotllant, Nicolas Ferré
The Journal of Chemical Physics|July 17, 2014
Assessment of density functional theory based ΔSCF (self-consistent field) and linear response methods for longest wavelength excited states of extended π-conjugated molecular systemsMichael Filatov, Miquel Huix-Rotllant
Journal of Chemical Theory and Computation|September 20, 2016
An Effective Procedure for Analyzing Molecular Vibrations in Terms of Local Fragment ModesMiquel Huix-Rotllant, Nicolas Ferré
The Journal of Chemical Physics|April 10, 2014
Triplet state photochemistry and the three-state crossing of acetophenone within time-dependent density-functional theoryMiquel Huix-Rotllant, Nicolas Ferré
The Journal of Physical Chemistry. A|June 13, 2014
Theoretical study of the photochemical initiation in nitroxide-mediated photopolymerizationMiquel Huix-Rotllant, Nicolas Ferré
Physical Chemistry Chemical Physics : PCCP|April 13, 2019
Theoretical insights into the formation and stability of radical oxygen species in cryptochromesPadmabati Mondal, Miquel Huix-Rotllant
Topics in Current Chemistry|May 25, 2015
Many-Body Perturbation Theory (MBPT) and Time-Dependent Density-Functional Theory (TD-DFT): MBPT Insights About What Is Missing In, and Corrections To, the TD-DFT Adiabatic ApproximationMark E Casida, Miquel Huix-Rotllant
The Journal of Chemical Physics|August 3, 2019
Analytic QM/MM atomic charge derivatives avoiding the scaling of coupled perturbed equations with the MM subsystem sizeKarno Schwinn, Nicolas Ferré, Miquel Huix-Rotllant
The Journal of Chemical Physics|May 17, 2015
Ensemble density functional theory method correctly describes bond dissociation, excited state electron transfer, and double excitationsMichael Filatov, Miquel Huix-Rotllant, Irene Burghardt
Pageof 6