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Nanoscale
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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.
Nature Communications
|
August 28, 2019
Quantum localization and delocalization of charge carriers in organic semiconducting crystals
Samuele Giannini, Antoine Carof, Matthew Ellis, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2024
Influence of symmetry breaking on the absorption spectrum of crystal violet: from isolated cations at 5 K to room temperature solutions
Alexander Schäfer, Samuele Giannini, Dmitry Strelnikov, et al.
Journal of Chemical Theory and Computation
|
April 28, 2025
A Set of Quantum-Mechanically Derived Force Fields for Natural and Synthetic Retinal Photoswitches
Razan E Daoud, Simone Veglianti, Anna Piras, et al.
Journal of Chemical Theory and Computation
|
February 23, 2026
Diabatization with Electrostatic Embedding for Studying Photophysics in Organic Molecular Crystals
Michael Ingham, Mohammad Aarabi, Samuele Giannini, et al.
The Journal of Chemical Physics
|
April 6, 2026
Nonadiabatic molecular dynamics simulations of charge transport in a covalent organic framework
David Beljonne, David Cornil, Sai Manoj Gali, et al.
Science Advances
|
October 23, 2024
Thermoelectric transport in molecular crystals driven by gradients of thermal electronic disorder
Jan Elsner, Yucheng Xu, Elliot D Goldberg, et al.
Journal of Chemical Theory and Computation
|
March 11, 2025
JOYCE3.0: A General Protocol for the Specific Parametrization of Accurate Intramolecular Quantum Mechanically Derived Force Fields
Samuele Giannini, P M Martinez, Abderrahmane Semmeq, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 30, 2023
Electronic and Charge Transport Properties in Bridged versus Unbridged Nanohoops: Role of the Nanohoop Size
Fabien Lucas, Clément Brouillac, Nemo McIntosh, et al.
Nature Communications
|
January 4, 2024
Spin relaxation of electron and hole polarons in ambipolar conjugated polymers
Remington L Carey, Samuele Giannini, Sam Schott, et al.
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of 4
Search research articles
Search
Showing results (21-30 of 34) with videos related to
Sort By:
Page
of 4
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.
Nature Communications
|
August 28, 2019
Quantum localization and delocalization of charge carriers in organic semiconducting crystals
Samuele Giannini, Antoine Carof, Matthew Ellis, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2024
Influence of symmetry breaking on the absorption spectrum of crystal violet: from isolated cations at 5 K to room temperature solutions
Alexander Schäfer, Samuele Giannini, Dmitry Strelnikov, et al.
Journal of Chemical Theory and Computation
|
April 28, 2025
A Set of Quantum-Mechanically Derived Force Fields for Natural and Synthetic Retinal Photoswitches
Razan E Daoud, Simone Veglianti, Anna Piras, et al.
Journal of Chemical Theory and Computation
|
February 23, 2026
Diabatization with Electrostatic Embedding for Studying Photophysics in Organic Molecular Crystals
Michael Ingham, Mohammad Aarabi, Samuele Giannini, et al.
The Journal of Chemical Physics
|
April 6, 2026
Nonadiabatic molecular dynamics simulations of charge transport in a covalent organic framework
David Beljonne, David Cornil, Sai Manoj Gali, et al.
Science Advances
|
October 23, 2024
Thermoelectric transport in molecular crystals driven by gradients of thermal electronic disorder
Jan Elsner, Yucheng Xu, Elliot D Goldberg, et al.
Journal of Chemical Theory and Computation
|
March 11, 2025
JOYCE3.0: A General Protocol for the Specific Parametrization of Accurate Intramolecular Quantum Mechanically Derived Force Fields
Samuele Giannini, P M Martinez, Abderrahmane Semmeq, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 30, 2023
Electronic and Charge Transport Properties in Bridged versus Unbridged Nanohoops: Role of the Nanohoop Size
Fabien Lucas, Clément Brouillac, Nemo McIntosh, et al.
Nature Communications
|
January 4, 2024
Spin relaxation of electron and hole polarons in ambipolar conjugated polymers
Remington L Carey, Samuele Giannini, Sam Schott, et al.
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of 4