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Garavelli, Marco
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1

Retinal photoisomerization versus counterion protonation in..:

Malakar, Partha ; Gholami, Samira ; Aarabi, Mohammad...
Nature Communications.  15 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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2

Sub-100-fs energy transfer in coenzyme NADH is a coherent p..:

Jaiswal, Vishal Kumar ; Aranda Ruiz, Daniel ; Petropoulos, Vasilis...
Nature Communications.  15 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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3

Modeling pH-Dependent Biomolecular Photochemistry:

Pieri, Elisa ; Weingart, Oliver ; Huix-Rotllant, Miquel...
Journal of Chemical Theory and Computation.  , 2024
Link: https://doi.org/10.1021/..
 
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4

WFOT: A Wave Function Overlap Tool between Single- and Mult..:

Loreti, Alessandro ; Freixas, Victor Manuel ; Avagliano, Davide...
Journal of Chemical Theory and Computation.  20 (2024)  11 - p. 4804-4819 , 2024
Link: https://doi.org/10.1021/..
 
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5

Reconciling TD‐DFT and CASPT2 electronic structure methods ..:

Jaiswal, Vishal Kumar ; Taddei, Mario ; Nascimento, Daniel R....
Photochemistry and Photobiology.  100 (2024)  2 - p. 443-452 , 2024
Link: https://doi.org/10.1111/..
 
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6

Modeling solvent effects and convergence of 31P‐NMR shieldi..:

Calcagno, Francesco ; Maryasin, Boris ; Garavelli, Marco..
Journal of Computational Chemistry.  , 2024
Link: https://doi.org/10.1002/..
 
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7

Monitoring vibronic coherences and molecular aromaticity in..:

Nam, Yeonsig ; Song, Huajing ; Freixas, Victor M....
Chemical Science.  14 (2023)  11 - p. 2971-2982 , 2023
Link: https://doi.org/10.1039/..
 
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8

Spectroscopy from quantum dynamics: a mixed wave function/a..:

Montorsi, Francesco ; Aranda, Daniel ; Garavelli, Marco..
Theoretical Chemistry Accounts.  142 (2023)  11 - p. , 2023
Link: https://doi.org/10.1007/..
 
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9

Engineering Azobenzene Derivatives to Control the Photoisom..:

Aleotti, Flavia ; Petropoulos, Vasilis ; Van Overeem, Hannah...
The Journal of Physical Chemistry A.  127 (2023)  49 - p. 10435-10449 , 2023
Link: https://doi.org/10.1021/..
 
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10

Modus Operandi of a Pedalo-Type Molecular Switch: Insight f..:

Taddei, Mario ; Garavelli, Marco ; Amirjalayer, Saeed..
Molecules.  28 (2023)  2 - p. 816 , 2023
Link: https://doi.org/10.3390/..
 
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11

Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quant..:

Segatta, Francesco ; Aranda, Daniel ; Aleotti, Flavia...
Journal of Chemical Theory and Computation.  20 (2023)  1 - p. 307-322 , 2023
Link: https://doi.org/10.1021/..
 
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12

Characterizing Conical Intersections in DNA/RNA Nucleobases..:

Cuéllar-Zuquin, Juliana ; Pepino, Ana Julieta ; Fdez. Galván, Ignacio...
Journal of Chemical Theory and Computation.  19 (2023)  22 - p. 8258-8272 , 2023
Link: https://doi.org/10.1021/..
 
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13

Quantum-Classical Protocol for Efficient Characterization o..:

Aarabi, Mohammad ; Aranda, Daniel ; Gholami, Samira...
Journal of Chemical Theory and Computation.  19 (2023)  17 - p. 5938-5957 , 2023
Link: https://doi.org/10.1021/..
 
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14

Separating Convective from Diffusive Mass Transport Mechani..:

Belotti, Mattia ; El-Tahawy, Mohsen M. T. ; Garavelli, Marco...
Analytical Chemistry.  95 (2023)  26 - p. 9779-9786 , 2023
Link: https://doi.org/10.1021/..
 
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15

The protein environment restricts the intramolecular charge..:

Mateo-delaFuente, Henar ; Avagliano, Davide ; Garavelli, Marco.
Physical Chemistry Chemical Physics.  25 (2023)  24 - p. 16507-16519 , 2023
Link: https://doi.org/10.1039/..
 
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