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Giovannimaria Piccini

Showing results (1-10 of 34) with videos related to

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Journal of Chemical Information and Modeling|October 7, 2024
FESTA: A Polygon-Based Approach for Extracting Relevant Structures from Free Energy Surfaces Obtained in Molecular SimulationsValentin Istomin, GiovanniMaria Piccini
Journal of Chemical Theory and Computation|November 19, 2015
Effect of Anharmonicity on Adsorption ThermodynamicsGiovanniMaria Piccini, Joachim Sauer
Journal of Chemical Theory and Computation|November 20, 2015
Quantum Chemical Free Energies: Structure Optimization and Vibrational Frequencies in Normal ModesGiovanniMaria Piccini, Joachim Sauer
The Journal of Physical Chemistry Letters|June 28, 2019
Accurate Quantum Chemical Free Energies at Affordable CostGiovanniMaria Piccini, Michele Parrinello
Nature Communications|February 21, 2026
Exploring chemistry and catalysis by biasing skewed distributions via deep learningZhikun Zhang, GiovanniMaria Piccini
Angewandte Chemie (International Ed. in English)|March 24, 2022
Enantioselective Tail-to-Head Terpene Cyclizations by Optically Active Hexameric Resorcin[4]arene Capsule DerivativesDaria Sokolova, GiovanniMaria Piccini, Konrad Tiefenbacher
Angewandte Chemie (International Ed. in English)|March 24, 2016
Ab Initio Calculation of Rate Constants for Molecule-Surface Reactions with Chemical AccuracyGiovanniMaria Piccini, Maristella Alessio, Joachim Sauer
The Journal of Physical Chemistry Letters|May 8, 2018
Collective Variables from Local FluctuationsDan Mendels, GiovanniMaria Piccini, Michele Parrinello
Physical Chemistry Chemical Physics : PCCP|July 20, 2018
Ab initio study of methanol and ethanol adsorption on Brønsted sites in zeolite H-MFIGiovanniMaria Piccini, Maristella Alessio, Joachim Sauer
The Journal of Physical Chemistry Letters|August 23, 2017
Identifying Slow Molecular Motions in Complex Chemical ReactionsGiovanniMaria Piccini, Daniela Polino, Michele Parrinello
Pageof 4

Showing results (1-10 of 34) with videos related to

Sort By:
Pageof 4
Journal of Chemical Information and Modeling|October 7, 2024
FESTA: A Polygon-Based Approach for Extracting Relevant Structures from Free Energy Surfaces Obtained in Molecular SimulationsValentin Istomin, GiovanniMaria Piccini
Journal of Chemical Theory and Computation|November 19, 2015
Effect of Anharmonicity on Adsorption ThermodynamicsGiovanniMaria Piccini, Joachim Sauer
Journal of Chemical Theory and Computation|November 20, 2015
Quantum Chemical Free Energies: Structure Optimization and Vibrational Frequencies in Normal ModesGiovanniMaria Piccini, Joachim Sauer
The Journal of Physical Chemistry Letters|June 28, 2019
Accurate Quantum Chemical Free Energies at Affordable CostGiovanniMaria Piccini, Michele Parrinello
Nature Communications|February 21, 2026
Exploring chemistry and catalysis by biasing skewed distributions via deep learningZhikun Zhang, GiovanniMaria Piccini
Angewandte Chemie (International Ed. in English)|March 24, 2022
Enantioselective Tail-to-Head Terpene Cyclizations by Optically Active Hexameric Resorcin[4]arene Capsule DerivativesDaria Sokolova, GiovanniMaria Piccini, Konrad Tiefenbacher
Angewandte Chemie (International Ed. in English)|March 24, 2016
Ab Initio Calculation of Rate Constants for Molecule-Surface Reactions with Chemical AccuracyGiovanniMaria Piccini, Maristella Alessio, Joachim Sauer
The Journal of Physical Chemistry Letters|May 8, 2018
Collective Variables from Local FluctuationsDan Mendels, GiovanniMaria Piccini, Michele Parrinello
Physical Chemistry Chemical Physics : PCCP|July 20, 2018
Ab initio study of methanol and ethanol adsorption on Brønsted sites in zeolite H-MFIGiovanniMaria Piccini, Maristella Alessio, Joachim Sauer
The Journal of Physical Chemistry Letters|August 23, 2017
Identifying Slow Molecular Motions in Complex Chemical ReactionsGiovanniMaria Piccini, Daniela Polino, Michele Parrinello
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