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Chemical Science
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February 15, 2020
The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modeling
Felipe Cardoso Ramos, Michele Nottoli, Lorenzo Cupellini, et al.
Journal of Chemical Theory and Computation
|
December 30, 2025
Shortcomings of Linear-Response TD-DFT for ESA Oscillator Strength Calculations
Jakub Širůček, Boris Le Guennic, Lorenzo Cupellini, et al.
The Journal of Physical Chemistry. A
|
June 6, 2023
Integrated Computational Study of the Light-Activated Structure of the AppA BLUF Domain and Its Spectral Signatures
Shaima Hashem, Giovanni Battista Alteri, Lorenzo Cupellini, et al.
Journal of Chemical Theory and Computation
|
June 20, 2026
Modeling Xanthophyll Excited States via Cost-Effective Quantum Chemistry methods and Property-Based Diabatization
Amanda Arcidiacono, Valentino Martini, Lorenzo Cupellini, et al.
JACS Au
|
January 31, 2025
Protein-Driven Electron-Transfer Process in a Fatty Acid Photodecarboxylase
Giacomo Londi, Giacomo Salvadori, Patrizia Mazzeo, et al.
The Journal of Physical Chemistry Letters
|
July 19, 2022
Ultrafast Excited-State Dynamics of Carotenoids and the Role of the S<sub></sub> State
Davide Accomasso, Serra Arslancan, Lorenzo Cupellini, et al.
The Journal of Chemical Physics
|
April 15, 2026
Making excited state MD faster: Extrapolation of transition densities for TD-DFT calculations
Michele Nottoli, Damiano Castrignano', Patrizia Mazzeo, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 5, 2018
Modelling excitation energy transfer in covalently linked molecular dyads containing a BODIPY unit and a macrocycle
Cloé Azarias, Lorenzo Cupellini, Anouar Belhboub, et al.
The Journal of Physical Chemistry. B
|
May 18, 2024
Insights into Energy Transfer in Light-Harvesting Complex II Through Machine-Learning Assisted Simulations
Elena Betti, Piermarco Saraceno, Edoardo Cignoni, et al.
Journal of Computational Chemistry
|
February 1, 2018
Frenkel-exciton decomposition analysis of circular dichroism and circularly polarized luminescence for multichromophoric systems
Takafumi Shiraogawa, Masahiro Ehara, Sandro Jurinovich, et al.
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Search research articles
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Showing results (31-40 of 94) with videos related to
Sort By:
Page
of 10
Chemical Science
|
February 15, 2020
The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modeling
Felipe Cardoso Ramos, Michele Nottoli, Lorenzo Cupellini, et al.
Journal of Chemical Theory and Computation
|
December 30, 2025
Shortcomings of Linear-Response TD-DFT for ESA Oscillator Strength Calculations
Jakub Širůček, Boris Le Guennic, Lorenzo Cupellini, et al.
The Journal of Physical Chemistry. A
|
June 6, 2023
Integrated Computational Study of the Light-Activated Structure of the AppA BLUF Domain and Its Spectral Signatures
Shaima Hashem, Giovanni Battista Alteri, Lorenzo Cupellini, et al.
Journal of Chemical Theory and Computation
|
June 20, 2026
Modeling Xanthophyll Excited States via Cost-Effective Quantum Chemistry methods and Property-Based Diabatization
Amanda Arcidiacono, Valentino Martini, Lorenzo Cupellini, et al.
JACS Au
|
January 31, 2025
Protein-Driven Electron-Transfer Process in a Fatty Acid Photodecarboxylase
Giacomo Londi, Giacomo Salvadori, Patrizia Mazzeo, et al.
The Journal of Physical Chemistry Letters
|
July 19, 2022
Ultrafast Excited-State Dynamics of Carotenoids and the Role of the S<sub></sub> State
Davide Accomasso, Serra Arslancan, Lorenzo Cupellini, et al.
The Journal of Chemical Physics
|
April 15, 2026
Making excited state MD faster: Extrapolation of transition densities for TD-DFT calculations
Michele Nottoli, Damiano Castrignano', Patrizia Mazzeo, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 5, 2018
Modelling excitation energy transfer in covalently linked molecular dyads containing a BODIPY unit and a macrocycle
Cloé Azarias, Lorenzo Cupellini, Anouar Belhboub, et al.
The Journal of Physical Chemistry. B
|
May 18, 2024
Insights into Energy Transfer in Light-Harvesting Complex II Through Machine-Learning Assisted Simulations
Elena Betti, Piermarco Saraceno, Edoardo Cignoni, et al.
Journal of Computational Chemistry
|
February 1, 2018
Frenkel-exciton decomposition analysis of circular dichroism and circularly polarized luminescence for multichromophoric systems
Takafumi Shiraogawa, Masahiro Ehara, Sandro Jurinovich, et al.
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of 10