Theo dõi
Emanuele Marsili
Emanuele Marsili
Airbus
Email được xác minh tại airbus.com
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
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
332021
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
312020
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
142021
G-CTMQC
F Agostini, E Marsili, F Talotta, C Pieroni, EV Arribas, LM Ibele, ES Gil
accessed in June, 2024
112024
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
Applicability of Quantum Computing to Oxygen Reduction Reaction Simulations
C Di Paola, E Plekhanov, M Krompiec, C Kumar, F Du
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
University of Bristol, 2023
2023
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