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Zerbetto, Mirco
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1

Analysis of Velocity Autocorrelation Functions from Molecul..:

Abergel, Daniel ; Polimeno, Antonino ; Zerbetto, Mirco
The Journal of Physical Chemistry B.  127 (2023)  50 - p. 10896-10902 , 2023
Link: https://doi.org/10.1021/..
 
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2

The roto-conformational diffusion tensor as a tool to inter..:

Rampino, Sergio ; Zerbetto, Mirco ; Polimeno, Antonino
Physical Chemistry Chemical Physics.  25 (2023)  21 - p. 14822-14835 , 2023
Link: https://doi.org/10.1039/..
 
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3

A multiscale approach to coupled nuclear and electronic dyn..:

Campeggio, Jonathan ; Cortivo, Riccardo ; Zerbetto, Mirco
The Journal of Chemical Physics.  158 (2023)  24 - p. , 2023
Link: https://doi.org/10.1063/..
 
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4

Intrinsic Flexibility beyond the Highly Ordered DNA Tetrahe..:

Zerbetto, Mirco ; Saint-Pierre, Christine ; Piserchia, Andrea...
The Journal of Physical Chemistry Letters.  14 (2023)  44 - p. 10032-10038 , 2023
Link: https://doi.org/10.1021/..
 
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5

Ethanol electro-oxidation reaction on the Pd(111) surface i..:

Campeggio, Jonathan ; Volkov, Victor ; Innocenti, Massimo...
Physical Chemistry Chemical Physics.  24 (2022)  20 - p. 12569-12579 , 2022
Link: https://doi.org/10.1039/..
 
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6

Microsecond MD Simulations of the Plexin-B1 RBD: 2. N–H Pro..:

Mendelman, Netanel ; Pshetitsky, Yaron ; Li, Zhenlu...
The Journal of Physical Chemistry B.  126 (2022)  34 - p. 6408-6418 , 2022
Link: https://doi.org/10.1021/..
 
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7

Microsecond MD Simulations of the Plexin-B1 RBD: N–H Probab..:

Pshetitsky, Yaron ; Mendelman, Netanel ; Li, Zhenlu...
The Journal of Physical Chemistry B.  126 (2022)  34 - p. 6396-6407 , 2022
Link: https://doi.org/10.1021/..
 
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8

Parameter free evaluation of SN2 reaction rates for halide ..:

Bortoli, Marco ; Campeggio, Jonatan ; Orian, Laura..
Physical Chemistry Chemical Physics.  24 (2022)  12 - p. 7474-7480 , 2022
Link: https://doi.org/10.1039/..
 
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9

Insights on the supramolecular polymorphism of poly(γ-benzy..:

Dattola, Giovanna ; Zerbetto, Mirco
Journal of Materials Science.  56 (2021)  29 - p. 16463-16474 , 2021
Link: https://doi.org/10.1007/..
 
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10

Oxygen Reduction Reaction at Single‐Site Catalysts: A Combi..:

Facchin, Alessandro ; Zerbetto, Mirco ; Gennaro, Armando...
ChemElectroChem.  8 (2021)  15 - p. 2825-2835 , 2021
Link: https://doi.org/10.1002/..
 
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11

Stochastic Modelling of 13C NMR Spin Relaxation Experiments..:

Rampino, Sergio ; Zerbetto, Mirco ; Polimeno, Antonino
Molecules.  26 (2021)  9 - p. 2418 , 2021
Link: https://doi.org/10.3390/..
 
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12

Conformational Entropy from Mobile Bond Vectors in Proteins..:

Mendelman, Netanel ; Zerbetto, Mirco ; Buck, Matthias.
The Journal of Physical Chemistry B.  124 (2020)  42 - p. 9323-9334 , 2020
Link: https://doi.org/10.1021/..
 
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13

Multiscale modeling of reaction rates: application to arche..:

Campeggio, Jonathan ; Bortoli, Marco ; Orian, Laura..
Physical Chemistry Chemical Physics.  22 (2020)  6 - p. 3455-3465 , 2020
Link: https://doi.org/10.1039/..
 
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14

Glycosidic linkage flexibility: The ψ torsion angle has a b..:

Zerbetto, Mirco ; Polimeno, Antonino ; Widmalm, Göran
The Journal of Chemical Physics.  152 (2020)  3 - p. , 2020
Link: https://doi.org/10.1063/..
 
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15

Evaluating rotation diffusion properties of molecules from ..:

Polimeno, Antonino ; Zerbetto, Mirco
Physical Chemistry Chemical Physics.  21 (2019)  7 - p. 3662-3668 , 2019
Link: https://doi.org/10.1039/..
 
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