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Journal of Chemical Theory and Computation
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May 12, 2020
Electron Spin Densities and Density Functional Approximations: Open-Shell Polycyclic Aromatic Hydrocarbons as Case Study
Marika Savarese, Éric Brémond, Ilaria Ciofini, et al.
Journal of Chemical Theory and Computation
|
June 9, 2018
Accuracy of TD-DFT Geometries: A Fresh Look
Eric Brémond, Marika Savarese, Carlo Adamo, et al.
The Journal of Physical Chemistry. B
|
December 18, 2014
Intrinsic and dynamical reaction pathways of an excited state proton transfer
Umberto Raucci, Marika Savarese, Carlo Adamo, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 7, 2015
Computational Insights into Excited-State Proton-Transfer Reactions in Azo and Azomethine Dyes
Marika Savarese, Éric Brémond, Liudmil Antonov, et al.
The Journal of Physical Chemistry. B
|
September 11, 2014
Describing excited state intramolecular proton transfer in dual emissive systems: a density functional theory based analysis
Liam Wilbraham, Marika Savarese, Nadia Rega, et al.
The Journal of Physical Chemistry Letters
|
November 3, 2020
Modeling the Electron Transfer Chain in an Artificial Photosynthetic Machine
Umberto Raucci, Marika Savarese, Carlo Adamo, et al.
Journal of Chemical Theory and Computation
|
February 7, 2022
Free Energy Profiles of Proton Transfer Reactions: Density Functional Benchmark from Biased Ab Initio Dynamics
Éric Brémond, Marika Savarese, Nadia Rega, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 12, 2016
Excited-State Proton Transfer and Intramolecular Charge Transfer in 1,3-Diketone Molecules
Marika Savarese, Éric Brémond, Carlo Adamo, et al.
The Journal of Physical Chemistry. A
|
September 13, 2017
Metrics for Molecular Electronic Excitations: A Comparison between Orbital- and Density-Based Descriptors
Marika Savarese, Ciro Achille Guido, Eric Brémond, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 29, 2014
Intermolecular proton shuttling in excited state proton transfer reactions: insights from theory
Marika Savarese, Paolo A Netti, Nadia Rega, et al.
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Search research articles
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Showing results (1-10 of 24) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
May 12, 2020
Electron Spin Densities and Density Functional Approximations: Open-Shell Polycyclic Aromatic Hydrocarbons as Case Study
Marika Savarese, Éric Brémond, Ilaria Ciofini, et al.
Journal of Chemical Theory and Computation
|
June 9, 2018
Accuracy of TD-DFT Geometries: A Fresh Look
Eric Brémond, Marika Savarese, Carlo Adamo, et al.
The Journal of Physical Chemistry. B
|
December 18, 2014
Intrinsic and dynamical reaction pathways of an excited state proton transfer
Umberto Raucci, Marika Savarese, Carlo Adamo, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 7, 2015
Computational Insights into Excited-State Proton-Transfer Reactions in Azo and Azomethine Dyes
Marika Savarese, Éric Brémond, Liudmil Antonov, et al.
The Journal of Physical Chemistry. B
|
September 11, 2014
Describing excited state intramolecular proton transfer in dual emissive systems: a density functional theory based analysis
Liam Wilbraham, Marika Savarese, Nadia Rega, et al.
The Journal of Physical Chemistry Letters
|
November 3, 2020
Modeling the Electron Transfer Chain in an Artificial Photosynthetic Machine
Umberto Raucci, Marika Savarese, Carlo Adamo, et al.
Journal of Chemical Theory and Computation
|
February 7, 2022
Free Energy Profiles of Proton Transfer Reactions: Density Functional Benchmark from Biased Ab Initio Dynamics
Éric Brémond, Marika Savarese, Nadia Rega, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 12, 2016
Excited-State Proton Transfer and Intramolecular Charge Transfer in 1,3-Diketone Molecules
Marika Savarese, Éric Brémond, Carlo Adamo, et al.
The Journal of Physical Chemistry. A
|
September 13, 2017
Metrics for Molecular Electronic Excitations: A Comparison between Orbital- and Density-Based Descriptors
Marika Savarese, Ciro Achille Guido, Eric Brémond, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 29, 2014
Intermolecular proton shuttling in excited state proton transfer reactions: insights from theory
Marika Savarese, Paolo A Netti, Nadia Rega, et al.
Page
of 3