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Leonardo Barneschi
Leonardo Barneschi
在 student.unisi.it 的电子邮件经过验证
标题
引用次数
引用次数
年份
Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin
R Palombo, L Barneschi, L Pedraza-González, D Padula, I Schapiro, ...
Nature Communications 13 (1), 6652, 2022
202022
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
142022
Pro219 is an electrostatic color determinant in the light-driven sodium pump KR2
Y Nakajima, L Pedraza-González, L Barneschi, K Inoue, M Olivucci, ...
Communications Biology 4 (1), 1185, 2021
122021
Evolution of the automatic rhodopsin modeling (ARM) protocol
LP González, L Barneschi, D Padula, LD Vico, M Olivucci
New Horizons in Computational Chemistry Software, 105-152, 2022
102022
Automated QM/MM screening of rhodopsin variants with enhanced fluorescence
L Pedraza-González, L Barneschi, M Marszałek, D Padula, L De Vico, ...
Journal of chemical theory and computation 19 (1), 293-310, 2022
62022
Assessment of the Electron Correlation Treatment on the Quantum-Classical Dynamics of Retinal Protonated Schiff Base Models: XMS-CASPT2, RMS-CASPT2, and REKS Methods
L Barneschi, D Kaliakin, M Huix-Rotllant, N Ferré, M Filatov, M Olivucci
Journal of Chemical Theory and Computation 19 (22), 8189-8200, 2023
42023
Molecular Geometry Impact on Deep Learning Predictions of Inverted Singlet–Triplet Gaps
L Barneschi, L Rotondi, D Padula
The Journal of Physical Chemistry A 128 (12), 2417-2426, 2024
32024
Towards a fast machine-learning-assisted prediction of the mechanoelectric response in organic crystals
D Padula, L Barneschi, A Peluso, T Cinaglia, A Landi
Journal of Materials Chemistry C 11 (36), 12297-12306, 2023
22023
Picosecond quantum-classical dynamics reveals that the coexistence of light-induced microbial and animal chromophore rotary motion modulates the isomerization quantum yield of …
R Palombo, L Barneschi, L Pedraza-González, X Yang, M Olivucci
Physical Chemistry Chemical Physics 26 (13), 10343-10356, 2024
12024
Comparative Study of Uracil Excited-State Photophysics in Water and Acetonitrile via RMS-CASPT2-Driven Quantum-Classical Trajectories
MS Bezabih, DS Kaliakin, A Blanco-González, L Barneschi, AN Tarnovsky, ...
The Journal of Physical Chemistry B 127 (50), 10871-10879, 2023
12023
Preparation of Light‐responsive Unnatural RNA Bases via a Chromogenic Morita‐Baylis‐Hillman Adduct Path
M Lami, L Barneschi, M Saletti, M Olivucci, A Cappelli, M Paolino
ChemPhotoChem, e202400093, 0
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