Obserwuj
Emanuele Marsili
Emanuele Marsili
Airbus
Zweryfikowany adres z airbus.com
Tytuł
Cytowane przez
Cytowane przez
Rok
On the theoretical determination of photolysis properties for atmospheric volatile organic compounds
A Prlj, LM Ibele, E Marsili, BFE Curchod
The journal of physical chemistry letters 11 (14), 5418-5425, 2020
432020
Calculating photoabsorption cross-sections for atmospheric volatile organic compounds
A Prlj, E Marsili, L Hutton, D Hollas, D Shchepanovska, DR Glowacki, ...
ACS Earth and Space Chemistry 6 (1), 207-217, 2021
322021
Quantum and quantum-classical studies of the photoisomerization of a retinal chromophore model
E Marsili, M Olivucci, D Lauvergnat, F Agostini
Journal of Chemical Theory and Computation 16 (10), 6032-6048, 2020
322020
Caveat when using ADC (2) for studying the photochemistry of carbonyl-containing molecules
E Marsili, A Prlj, BFE Curchod
Physical Chemistry Chemical Physics 23 (23), 12945-12949, 2021
262021
On the fluorescence enhancement of arch neuronal optogenetic reporters
L Barneschi, E Marsili, L Pedraza-González, D Padula, L De Vico, ...
Nature Communications 13 (1), 6432, 2022
212022
Two-state, three-mode parametrization of the force field of a retinal chromophore model
E Marsili, MH Farag, X Yang, L De Vico, M Olivucci
The Journal of Physical Chemistry A 123 (9), 1710-1719, 2019
192019
Relaxation dynamics through a conical intersection: Quantum and quantum–classical studies
C Pieroni, E Marsili, D Lauvergnat, F Agostini
The Journal of Chemical Physics 154 (3), 2021
132021
G-CTMQC
F Agostini, E Marsili, F Talotta, C Pieroni, EV Arribas, LM Ibele, ES Gil
available via the Internet at: gitlab. com/agostini. work/g-ctmqc, 2021
112021
Quantum dynamics with curvilinear coordinates: models and kinetic energy operator
E Marsili, F Agostini, A Nauts, D Lauvergnat
Philosophical Transactions of the Royal Society A 380 (2223), 20200388, 2022
92022
A theoretical perspective on the actinic photochemistry of 2-hydroperoxypropanal
E Marsili, A Prlj, BFE Curchod
The Journal of Physical Chemistry A 126 (32), 5420-5433, 2022
82022
Platinum-based catalysts for oxygen reduction reaction simulated with a quantum computer
C Di Paola, E Plekhanov, M Krompiec, C Kumar, E Marsili, F Du, D Weber, ...
NPJ Computational Materials 10 (1), 285, 2024
22024
Platinum-based Catalysts for Oxygen Reduction Reaction simulated with a Quantum Computer
C Di Paola, E Plekhanov, M Krompiec, C Kumar, E Marsili, F Du, D Weber, ...
arXiv preprint arXiv:2307.15823, 2023
22023
Quantum Computing in Corrosion Modeling: Bridging Research and Industry
JMA Hualde, M Kowalik, L Remme, FE Wolff, J van Velzen, R Bottcher, ...
arXiv preprint arXiv:2412.07933, 2024
2024
A Theoretical Perspective on the Photochemistry of Boron–Nitrogen Lewis Adducts
E Marsili, BFE Curchod
The Journal of Physical Chemistry A 128 (6), 996-1008, 2024
2024
Leveraging computational chemistry to model photochemical reactions and calculate experimental observables
E Marsili
2023
Nie można teraz wykonać tej operacji. Spróbuj ponownie później.
Prace 1–15