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The Journal of Physical Chemistry Letters|January 13, 2025
Improved Description of Environment and Vibronic Effects with Electrostatically Embedded ML PotentialsKirill Zinovjev, Carles CurutchetJournal of Chemical Theory and Computation|February 23, 2023
Electrostatic Embedding of Machine Learning PotentialsKirill ZinovjevThe Journal of Physical Chemistry. A|December 1, 2017
Adaptive Finite Temperature String Method in Collective VariablesKirill Zinovjev, Iñaki TuñónThe Journal of Chemical Physics|October 10, 2015
Transition state ensemble optimization for reactions of arbitrary complexityKirill Zinovjev, Iñaki TuñónProceedings of the National Academy of Sciences of the United States of America|November 5, 2017
Quantifying the limits of transition state theory in enzymatic catalysisKirill Zinovjev, Iñaki TuñónJournal of Computational Chemistry|July 3, 2014
Exploring chemical reactivity of complex systems with path-based coordinates: role of the distance metricKirill Zinovjev, Iñaki TuñónJournal of the American Chemical Society|November 25, 2005
Toward a molecular scale interpretation of excitation energy transfer in solvated bichromophoric systemsCarles Curutchet, Benedetta MennucciThe Journal of Physical Chemistry. B|February 26, 2017
Can Förster Theory Describe Stereoselective Energy Transfer Dynamics in a Protein-Ligand Complex?Silvana Pinheiro, Carles CurutchetPhysical Chemistry Chemical Physics : PCCP|May 21, 2011
The role of the environment in electronic energy transfer: a molecular modeling perspectiveBenedetta Mennucci, Carles CurutchetChemical Reviews|March 10, 2016
Quantum Chemical Studies of Light HarvestingCarles Curutchet, Benedetta MennucciPageof 10