E-LIB Suche - Ergebnisse für: Granucci, Giovanni

1

Investigating the Photodynamics of trans-Azobenzene with Co..:

Pieroni, Carlotta ; Sangiogo Gil, Eduarda ; Ibele, Lea M....
Journal of Chemical Theory and Computation. , 2024

2

Photoisomerization of Spiropyran in Solution: A Surface Hop..:

Frassi, Dario ; Padula, Giancarlo ; Granucci, Giovanni
The Journal of Physical Chemistry B. 128 (2024) 21 - p. 5246-5253 , 2024

Link: https://doi.org/10.1021/..

3

Effect of Initial Conditions Sampling on Surface Hopping Si..:

Pieroni, Carlotta ; Becuzzi, Filippo ; Creatini, Luigi..
Journal of Chemical Theory and Computation. 19 (2023) 9 - p. 2430-2445 , 2023

Link: https://doi.org/10.1021/..

4

Ultrafast excited-state dynamics of Luteins in the major li..:

Pedraza-González, Laura ; Accomasso, Davide ; Cupellini, Lorenzo..
Photochemical & Photobiological Sciences. 23 (2023) 2 - p. 303-314 , 2023

Link: https://doi.org/10.1007/..

5

Computational design of covalently bound dimers for singlet..:

Accomasso, Davide ; Ben Amor, Nadia ; Persico, Maurizio.
Journal of Photochemistry and Photobiology A: Chemistry. 443 (2023) - p. 114836 , 2023

Link: https://doi.org/10.1016/..

6

Dual photoisomerization mechanism of azobenzene embedded in..:

Osella, Silvio ; Granucci, Giovanni ; Persico, Maurizio.
Journal of Materials Chemistry B. 11 (2023) 11 - p. 2518-2529 , 2023

Link: https://doi.org/10.1039/..

7

The radiative surface hopping (RSH) algorithm: Capturing fl..:

Pérez-Escribano, Manuel ; Jankowska, Joanna ; Granucci, Giovanni.
The Journal of Chemical Physics. 158 (2023) 12 - p. , 2023

Link: https://doi.org/10.1063/..

8

Newton-X Platform: New Software Developments for Surface Ho..:

Barbatti, Mario ; Bondanza, Mattia ; Crespo-Otero, Rachel...
Journal of Chemical Theory and Computation. 18 (2022) 11 - p. 6851-6865 , 2022

Link: https://doi.org/10.1021/..

9

Protein control of photochemistry and transient intermediat..:

Salvadori, Giacomo ; Macaluso, Veronica ; Pellicci, Giulia...
Nature Communications. 13 (2022) 1 - p. , 2022

Link: https://doi.org/10.1038/..

10

Computational design of singlet fission biradicaloid chromo..:

Accomasso, Davide ; Persico, Maurizio ; Granucci, Giovanni
Journal of Photochemistry and Photobiology A: Chemistry. 427 (2022) - p. 113807 , 2022

Link: https://doi.org/10.1016/..

11

Frenkel exciton photodynamics of self-assembled monolayers ..:

Sangiogo Gil, Eduarda ; Persico, Maurizio ; Granucci, Giovanni
The Journal of Chemical Physics. 157 (2022) 16 - p. , 2022

Link: https://doi.org/10.1063/..

12

Ultrafast Excited-State Dynamics of Carotenoids and the Rol..:

Accomasso, Davide ; Arslancan, Serra ; Cupellini, Lorenzo..
The Journal of Physical Chemistry Letters. 13 (2022) 29 - p. 6762-6769 , 2022

Link: https://doi.org/10.1021/..

13

Surface Hopping Dynamics with the Frenkel Exciton Model in ..:

Gil, Eduarda Sangiogo ; Granucci, Giovanni ; Persico, Maurizio
Journal of Chemical Theory and Computation. 17 (2021) 12 - p. 7373-7383 , 2021

Link: https://doi.org/10.1021/..

14

Sampling initial positions and momenta for nuclear trajecto..:

Yao, Yuxuan ; Hase, William L. ; Granucci, Giovanni.
The Journal of Chemical Physics. 154 (2021) 7 - p. , 2021

Link: https://doi.org/10.1063/..

15

Singlet fission in covalent dimers of methylene-locked 1,3-..:

Accomasso, Davide ; Granucci, Giovanni ; Persico, Maurizio
Journal of Materials Chemistry A. 9 (2021) 38 - p. 21897-21909 , 2021

Link: https://doi.org/10.1039/..