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Marco Campetella

Showing results (1-10 of 52) with videos related to

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Journal of Computational Chemistry|February 1, 2020
Following the evolution of excited states along photochemical reaction pathwaysMarco Campetella, Juan Sanz García
Physical Chemistry Chemical Physics : PCCP|January 5, 2023
Solvent effects on catechol's binding affinity: investigating the role of the intra-molecular hydrogen bond through a multi-level computational approachGiacomo Prampolini, Marco Campetella, Alessandro Ferretti
Physical Chemistry Chemical Physics : PCCP|May 22, 2019
Coupled hydroxyl and ether functionalisation in EAN derivatives: the effect of hydrogen bond donor/acceptor groups on the structural heterogeneity studied with X-ray diffractions and fixed charge/polarizable simulationsFabio Ramondo, Lorenzo Gontrani, Marco Campetella
The Journal of Chemical Physics|August 6, 2020
Automated parameterization of quantum-mechanically derived force-fields including explicit sigma holes: A pathway to energetic and structural features of halogen bonds in gas and condensed phaseMarco Campetella, Nicola De Mitri, Giacomo Prampolini
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.
Journal of Computational Chemistry|February 26, 2019
Excited state tracking during the relaxation of coordination compoundsJuan Sanz García, Martial Boggio-Pasqua, Ilaria Ciofini, et al.
Physical Chemistry Chemical Physics : PCCP|April 25, 2017
Unexpected proton mobility in the bulk phase of cholinium-based ionic liquids: new insights from theoretical calculationsMarco Campetella, Maria Montagna, Lorenzo Gontrani, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 1, 2014
Two different models to predict ionic-liquid diffraction patterns: fixed-charge versus polarizable potentialsMarco Campetella, Lorenzo Gontrani, Francesca Leonelli, 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.
Pageof 6

Showing results (1-10 of 52) with videos related to

Sort By:
Pageof 6
Journal of Computational Chemistry|February 1, 2020
Following the evolution of excited states along photochemical reaction pathwaysMarco Campetella, Juan Sanz García
Physical Chemistry Chemical Physics : PCCP|January 5, 2023
Solvent effects on catechol's binding affinity: investigating the role of the intra-molecular hydrogen bond through a multi-level computational approachGiacomo Prampolini, Marco Campetella, Alessandro Ferretti
Physical Chemistry Chemical Physics : PCCP|May 22, 2019
Coupled hydroxyl and ether functionalisation in EAN derivatives: the effect of hydrogen bond donor/acceptor groups on the structural heterogeneity studied with X-ray diffractions and fixed charge/polarizable simulationsFabio Ramondo, Lorenzo Gontrani, Marco Campetella
The Journal of Chemical Physics|August 6, 2020
Automated parameterization of quantum-mechanically derived force-fields including explicit sigma holes: A pathway to energetic and structural features of halogen bonds in gas and condensed phaseMarco Campetella, Nicola De Mitri, Giacomo Prampolini
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.
Journal of Computational Chemistry|February 26, 2019
Excited state tracking during the relaxation of coordination compoundsJuan Sanz García, Martial Boggio-Pasqua, Ilaria Ciofini, et al.
Physical Chemistry Chemical Physics : PCCP|April 25, 2017
Unexpected proton mobility in the bulk phase of cholinium-based ionic liquids: new insights from theoretical calculationsMarco Campetella, Maria Montagna, Lorenzo Gontrani, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 1, 2014
Two different models to predict ionic-liquid diffraction patterns: fixed-charge versus polarizable potentialsMarco Campetella, Lorenzo Gontrani, Francesca Leonelli, 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.
Pageof 6