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Federica Maschietto

Showing results (1-10 of 29) with videos related to

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Journal of Computational Chemistry|December 15, 2018
Using density based indexes to characterize excited states evolutionFederica Maschietto, Juan Sanz García, Marco Campetella, et al.
The Journal of Physical Chemistry. A|December 13, 2017
Using Density Based Indexes and Wave Function Methods for the Description of Excited States: Excited State Proton Transfer Reactions as a Test CaseJuan Sanz García, Federica Maschietto, Marco Campetella, et al.
The Journal of Chemical Physics|June 5, 2023
MDiGest: A Python package for describing allostery from molecular dynamics simulationsFederica Maschietto, Brandon Allen, Gregory W Kyro, et al.
The Journal of Chemical Physics|July 9, 2021
Chasing unphysical TD-DFT excited states in transition metal complexes with a simple diagnostic toolFederica Maschietto, Marco Campetella, Juan Sanz García, et al.
Journal of Molecular Biology|March 27, 2022
MptpA Kinetics Enhanced by Allosteric Control of an Active ConformationFederica Maschietto, Erik Zavala, Brandon Allen, et al.
Biophysical Journal|December 5, 2021
Distinct allosteric pathways in imidazole glycerol phosphate synthase from yeast and bacteriaFederica Maschietto, Aria Gheeraert, Andrea Piazzi, et al.
PNAS Nexus|May 1, 2024
Kernel-elastic autoencoder for molecular designHaote Li, Yu Shee, Brandon Allen, et al.
Journal of Computational Chemistry|August 2, 2017
Charge transfer excitations in TDDFT: A ghost-hunter indexMarco Campetella, Federica Maschietto, Mike J Frisch, et al.
Journal of Computational Chemistry|January 12, 2018
How are the charge transfer descriptors affected by the quality of the underpinning electronic density?Federica Maschietto, Marco Campetella, Michael J Frisch, et al.
Nature Communications|June 28, 2020
Rationally designed ruthenium complexes for 1- and 2-photon photodynamic therapyJohannes Karges, Shi Kuang, Federica Maschietto, et al.
Pageof 3

Showing results (1-10 of 29) with videos related to

Sort By:
Pageof 3
Journal of Computational Chemistry|December 15, 2018
Using density based indexes to characterize excited states evolutionFederica Maschietto, Juan Sanz García, Marco Campetella, et al.
The Journal of Physical Chemistry. A|December 13, 2017
Using Density Based Indexes and Wave Function Methods for the Description of Excited States: Excited State Proton Transfer Reactions as a Test CaseJuan Sanz García, Federica Maschietto, Marco Campetella, et al.
The Journal of Chemical Physics|June 5, 2023
MDiGest: A Python package for describing allostery from molecular dynamics simulationsFederica Maschietto, Brandon Allen, Gregory W Kyro, et al.
The Journal of Chemical Physics|July 9, 2021
Chasing unphysical TD-DFT excited states in transition metal complexes with a simple diagnostic toolFederica Maschietto, Marco Campetella, Juan Sanz García, et al.
Journal of Molecular Biology|March 27, 2022
MptpA Kinetics Enhanced by Allosteric Control of an Active ConformationFederica Maschietto, Erik Zavala, Brandon Allen, et al.
Biophysical Journal|December 5, 2021
Distinct allosteric pathways in imidazole glycerol phosphate synthase from yeast and bacteriaFederica Maschietto, Aria Gheeraert, Andrea Piazzi, et al.
PNAS Nexus|May 1, 2024
Kernel-elastic autoencoder for molecular designHaote Li, Yu Shee, Brandon Allen, et al.
Journal of Computational Chemistry|August 2, 2017
Charge transfer excitations in TDDFT: A ghost-hunter indexMarco Campetella, Federica Maschietto, Mike J Frisch, et al.
Journal of Computational Chemistry|January 12, 2018
How are the charge transfer descriptors affected by the quality of the underpinning electronic density?Federica Maschietto, Marco Campetella, Michael J Frisch, et al.
Nature Communications|June 28, 2020
Rationally designed ruthenium complexes for 1- and 2-photon photodynamic therapyJohannes Karges, Shi Kuang, Federica Maschietto, et al.
Pageof 3