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Physical Chemistry Chemical Physics : PCCP
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July 2, 2019
Interplay between conformational and solvent effects in UV-visible absorption spectra: curcumin tautomers as a case study
Alessandra Puglisi, Tommaso Giovannini, Liudmil Antonov, et al.
The Journal of Physical Chemistry. A
|
October 30, 2025
Fully Atomistic Modeling in Computational Spectroscopy: Tryptophan in Aqueous Solution as a Test Case
Marco Trinari, Chiara Sepali, Tommaso Giovannini, et al.
The Journal of Physical Chemistry. A
|
November 22, 2023
Computational Insights into the Adsorption of Ligands on Gold Nanosurfaces
Sveva Sodomaco, Sara Gómez, Tommaso Giovannini, et al.
Nanoscale Advances
|
June 16, 2022
<i>In silico</i> design of graphene plasmonic hot-spots
Luca Bonatti, Luca Nicoli, Tommaso Giovannini, et al.
Journal of Chemical Theory and Computation
|
October 15, 2020
Calculation of Linear and Non-linear Electric Response Properties of Systems in Aqueous Solution: A Polarizable Quantum/Classical Approach with Quantum Repulsion Effects
Gioia Marrazzini, Tommaso Giovannini, Franco Egidi, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
November 12, 2021
Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures
Piero Lafiosca, Tommaso Giovannini, Michele Benzi, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Toward an Accurate Modeling of Optical Rotation for Solvated Systems: Anharmonic Vibrational Contributions Coupled to the Polarizable Continuum Model
Franco Egidi, Vincenzo Barone, Julien Bloino, et al.
Journal of Chemical Theory and Computation
|
November 10, 2015
A robust and effective time-independent route to the calculation of Resonance Raman spectra of large molecules in condensed phases with the inclusion of Duschinsky, Herzberg-Teller, anharmonic, and environmental effects
Franco Egidi, Julien Bloino, Chiara Cappelli, et al.
Journal of Chemical Theory and Computation
|
March 16, 2019
Polarizable QM/MM Approach with Fluctuating Charges and Fluctuating Dipoles: The QM/FQFμ Model
Tommaso Giovannini, Alessandra Puglisi, Matteo Ambrosetti, et al.
The Journal of Physical Chemistry Letters
|
August 18, 2020
Graphene Plasmonics: Fully Atomistic Approach for Realistic Structures
Tommaso Giovannini, Luca Bonatti, Marco Polini, et al.
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Search research articles
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Showing results (31-40 of 128) with videos related to
Sort By:
Page
of 13
Physical Chemistry Chemical Physics : PCCP
|
July 2, 2019
Interplay between conformational and solvent effects in UV-visible absorption spectra: curcumin tautomers as a case study
Alessandra Puglisi, Tommaso Giovannini, Liudmil Antonov, et al.
The Journal of Physical Chemistry. A
|
October 30, 2025
Fully Atomistic Modeling in Computational Spectroscopy: Tryptophan in Aqueous Solution as a Test Case
Marco Trinari, Chiara Sepali, Tommaso Giovannini, et al.
The Journal of Physical Chemistry. A
|
November 22, 2023
Computational Insights into the Adsorption of Ligands on Gold Nanosurfaces
Sveva Sodomaco, Sara Gómez, Tommaso Giovannini, et al.
Nanoscale Advances
|
June 16, 2022
<i>In silico</i> design of graphene plasmonic hot-spots
Luca Bonatti, Luca Nicoli, Tommaso Giovannini, et al.
Journal of Chemical Theory and Computation
|
October 15, 2020
Calculation of Linear and Non-linear Electric Response Properties of Systems in Aqueous Solution: A Polarizable Quantum/Classical Approach with Quantum Repulsion Effects
Gioia Marrazzini, Tommaso Giovannini, Franco Egidi, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
November 12, 2021
Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures
Piero Lafiosca, Tommaso Giovannini, Michele Benzi, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Toward an Accurate Modeling of Optical Rotation for Solvated Systems: Anharmonic Vibrational Contributions Coupled to the Polarizable Continuum Model
Franco Egidi, Vincenzo Barone, Julien Bloino, et al.
Journal of Chemical Theory and Computation
|
November 10, 2015
A robust and effective time-independent route to the calculation of Resonance Raman spectra of large molecules in condensed phases with the inclusion of Duschinsky, Herzberg-Teller, anharmonic, and environmental effects
Franco Egidi, Julien Bloino, Chiara Cappelli, et al.
Journal of Chemical Theory and Computation
|
March 16, 2019
Polarizable QM/MM Approach with Fluctuating Charges and Fluctuating Dipoles: The QM/FQFμ Model
Tommaso Giovannini, Alessandra Puglisi, Matteo Ambrosetti, et al.
The Journal of Physical Chemistry Letters
|
August 18, 2020
Graphene Plasmonics: Fully Atomistic Approach for Realistic Structures
Tommaso Giovannini, Luca Bonatti, Marco Polini, et al.
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of 13