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Journal of Chemical Theory and Computation
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September 15, 2017
Classical Force Fields Tailored for QM Applications: Is It Really a Feasible Strategy?
Oliviero Andreussi, Ingrid G Prandi, Marco Campetella, et al.
The Journal of Chemical Physics
|
March 17, 2016
Theoretical study of ionic liquids based on the cholinium cation. Ab initio simulations of their condensed phases
Marco Campetella, Enrico Bodo, Maria Montagna, et al.
Journal of Chemical Theory and Computation
|
October 7, 2016
Systematic and Automated Development of Quantum Mechanically Derived Force Fields: The Challenging Case of Halogenated Hydrocarbons
Giacomo Prampolini, Marco Campetella, Nicola De Mitri, et al.
Journal of Chemical Theory and Computation
|
March 29, 2019
Small Basis Set Allowing the Recovery of Dispersion Interactions with Double-Hybrid Functionals
Juan Sanz Garcı A, Éric Brémond, Marco Campetella, et al.
The Journal of Chemical Physics
|
September 24, 2015
Structural studies on choline-carboxylate bio-ionic liquids by x-ray scattering and molecular dynamics
Luana Tanzi, Fabio Ramondo, Ruggero Caminiti, et al.
Journal of Chemical Theory and Computation
|
May 15, 2020
General Density-Based Index to Analyze Charge Transfer Phenomena: From Models to Butterfly Molecules
Léon Huet, Anna Perfetto, Francesco Muniz-Miranda, et al.
Journal of Computational Chemistry
|
August 2, 2017
Charge transfer excitations in TDDFT: A ghost-hunter index
Marco Campetella, Federica Maschietto, Mike J Frisch, et al.
The Journal of Chemical Physics
|
May 17, 2013
Conformational isomerisms and nano-aggregation in substituted alkylammonium nitrates ionic liquids: an x-ray and computational study of 2-methoxyethylammonium nitrate
Marco Campetella, Lorenzo Gontrani, Enrico Bodo, 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.
The Journal of Chemical Physics
|
April 9, 2018
Structure and dynamics of propylammonium nitrate-acetonitrile mixtures: An intricate multi-scale system probed with experimental and theoretical techniques
Marco Campetella, Alessandro Mariani, Claudia Sadun, et al.
Page
of 6
Search research articles
Search
Showing results (11-20 of 52) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
September 15, 2017
Classical Force Fields Tailored for QM Applications: Is It Really a Feasible Strategy?
Oliviero Andreussi, Ingrid G Prandi, Marco Campetella, et al.
The Journal of Chemical Physics
|
March 17, 2016
Theoretical study of ionic liquids based on the cholinium cation. Ab initio simulations of their condensed phases
Marco Campetella, Enrico Bodo, Maria Montagna, et al.
Journal of Chemical Theory and Computation
|
October 7, 2016
Systematic and Automated Development of Quantum Mechanically Derived Force Fields: The Challenging Case of Halogenated Hydrocarbons
Giacomo Prampolini, Marco Campetella, Nicola De Mitri, et al.
Journal of Chemical Theory and Computation
|
March 29, 2019
Small Basis Set Allowing the Recovery of Dispersion Interactions with Double-Hybrid Functionals
Juan Sanz Garcı A, Éric Brémond, Marco Campetella, et al.
The Journal of Chemical Physics
|
September 24, 2015
Structural studies on choline-carboxylate bio-ionic liquids by x-ray scattering and molecular dynamics
Luana Tanzi, Fabio Ramondo, Ruggero Caminiti, et al.
Journal of Chemical Theory and Computation
|
May 15, 2020
General Density-Based Index to Analyze Charge Transfer Phenomena: From Models to Butterfly Molecules
Léon Huet, Anna Perfetto, Francesco Muniz-Miranda, et al.
Journal of Computational Chemistry
|
August 2, 2017
Charge transfer excitations in TDDFT: A ghost-hunter index
Marco Campetella, Federica Maschietto, Mike J Frisch, et al.
The Journal of Chemical Physics
|
May 17, 2013
Conformational isomerisms and nano-aggregation in substituted alkylammonium nitrates ionic liquids: an x-ray and computational study of 2-methoxyethylammonium nitrate
Marco Campetella, Lorenzo Gontrani, Enrico Bodo, 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.
The Journal of Chemical Physics
|
April 9, 2018
Structure and dynamics of propylammonium nitrate-acetonitrile mixtures: An intricate multi-scale system probed with experimental and theoretical techniques
Marco Campetella, Alessandro Mariani, Claudia Sadun, et al.
Page
of 6