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The Journal of Physical Chemistry Letters
|
May 21, 2021
Computational Identification of Novel Families of Nonfullerene Acceptors by Modification of Known Compounds
Zhi-Wen Zhao, Ömer H Omar, Daniele Padula, et al.
Topics in Current Chemistry (Cham)
|
March 15, 2022
Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol
Laura Pedraza-González, Leonardo Barneschi, Daniele Padula, et al.
Organic & Biomolecular Chemistry
|
February 29, 2020
Amplification of the chiroptical response of UV-transparent amines and alcohols by N-phthalimide derivatization enabling absolute configuration determination through ECD computational analysis
Daniele Padula, Giuseppe Mazzeo, Ernesto Santoro, et al.
Nature Communications
|
November 5, 2022
Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin
Riccardo Palombo, Leonardo Barneschi, Laura Pedraza-González, et al.
Nature Communications
|
May 19, 2022
Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization
Samuele Giannini, Wei-Tao Peng, Lorenzo Cupellini, et al.
Chirality
|
December 12, 2013
Strong intermolecular exciton couplings in solid-state circular dichroism of aryl benzyl sulfoxides
Daniele Padula, Sebastiano Di Pietro, Maria Annunziata M Capozzi, et al.
Journal of Chemical Theory and Computation
|
December 14, 2022
Automated QM/MM Screening of Rhodopsin Variants with Enhanced Fluorescence
Laura Pedraza-González, Leonardo Barneschi, Michał Marszałek, et al.
Nanoscale
|
September 30, 2025
Anticooperative self-assembly of perylene diimide dyes in water unveiled by advanced molecular dynamics simulations
Marta Cantina, Daniele Padula, Alekos Segalina, et al.
Journal of the American Chemical Society
|
January 19, 2026
Delocalization versus Coherence under Vibrational and Environmental Disorder in Photoexcited Supramolecular Aggregates
Samuele Giannini, Alekos Segalina, Daniele Padula, et al.
Journal of Chemical Theory and Computation
|
October 19, 2022
Accurate Quantum-Mechanically Derived Force-Fields through a Fragment-Based Approach: Balancing Specificity and Transferability in the Prediction of Self-Assembly in Soft Matter
Leandro Greff da Silveira, Paolo Roberto Livotto, Daniele Padula, et al.
Page
of 5
Search research articles
Search
Showing results (21-30 of 48) with videos related to
Sort By:
Page
of 5
The Journal of Physical Chemistry Letters
|
May 21, 2021
Computational Identification of Novel Families of Nonfullerene Acceptors by Modification of Known Compounds
Zhi-Wen Zhao, Ömer H Omar, Daniele Padula, et al.
Topics in Current Chemistry (Cham)
|
March 15, 2022
Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol
Laura Pedraza-González, Leonardo Barneschi, Daniele Padula, et al.
Organic & Biomolecular Chemistry
|
February 29, 2020
Amplification of the chiroptical response of UV-transparent amines and alcohols by N-phthalimide derivatization enabling absolute configuration determination through ECD computational analysis
Daniele Padula, Giuseppe Mazzeo, Ernesto Santoro, et al.
Nature Communications
|
November 5, 2022
Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin
Riccardo Palombo, Leonardo Barneschi, Laura Pedraza-González, et al.
Nature Communications
|
May 19, 2022
Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization
Samuele Giannini, Wei-Tao Peng, Lorenzo Cupellini, et al.
Chirality
|
December 12, 2013
Strong intermolecular exciton couplings in solid-state circular dichroism of aryl benzyl sulfoxides
Daniele Padula, Sebastiano Di Pietro, Maria Annunziata M Capozzi, et al.
Journal of Chemical Theory and Computation
|
December 14, 2022
Automated QM/MM Screening of Rhodopsin Variants with Enhanced Fluorescence
Laura Pedraza-González, Leonardo Barneschi, Michał Marszałek, et al.
Nanoscale
|
September 30, 2025
Anticooperative self-assembly of perylene diimide dyes in water unveiled by advanced molecular dynamics simulations
Marta Cantina, Daniele Padula, Alekos Segalina, et al.
Journal of the American Chemical Society
|
January 19, 2026
Delocalization versus Coherence under Vibrational and Environmental Disorder in Photoexcited Supramolecular Aggregates
Samuele Giannini, Alekos Segalina, Daniele Padula, et al.
Journal of Chemical Theory and Computation
|
October 19, 2022
Accurate Quantum-Mechanically Derived Force-Fields through a Fragment-Based Approach: Balancing Specificity and Transferability in the Prediction of Self-Assembly in Soft Matter
Leandro Greff da Silveira, Paolo Roberto Livotto, Daniele Padula, et al.
Page
of 5