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Results of search for 'au:"Gabrieli, Andrea"'
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Authors
Demontis, Pierfranco
Gabrieli, Andrea
Pazzona, Federico G
Pintus, Alberto M
Pireddu, Giovanni
Sant, Marco
Suffritti, Giuseppe B
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Adsorption
Molecular Conformation
Molecular Dynamics Simulation
Time Factors
Zeolites
chemistry
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English
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1.
Partial Charges in Periodic Systems: Improving Electrostatic Potential (ESP) Fitting via Total Dipole Fluctuations and Multiframe Approaches.
[electronic resource]
by
Gabrieli, Andrea
Sant, Marco
Demontis, Pierfranco
Suffritti, Giuseppe B
Producer:
20160314
In:
Journal of chemical theory and computation
vol. 11
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2.
Speeding up simulation of diffusion in zeolites by a parallel synchronous kinetic Monte Carlo algorithm.
[electronic resource]
by
Gabrieli, Andrea
Demontis, Pierfranco
Pazzona, Federico G
Suffritti, Giuseppe B
Producer:
20111114
In:
Physical review. E, Statistical, nonlinear, and soft matter physics
vol. 83
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3.
Molecular QCA embedding in microporous materials.
[electronic resource]
by
Pintus, Alberto M
Gabrieli, Andrea
Pazzona, Federico G
Pireddu, Giovanni
Demontis, Pierfranco
Producer:
20190410
In:
Physical chemistry chemical physics : PCCP
vol. 21
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4.
Local free energies for the coarse-graining of adsorption phenomena: The interacting pair approximation.
[electronic resource]
by
Pazzona, Federico G
Pireddu, Giovanni
Gabrieli, Andrea
Pintus, Alberto M
Demontis, Pierfranco
Producer:
20181017
In:
The Journal of chemical physics
vol. 148
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5.
A coarse-grained method based on the analysis of short molecular dynamics trajectories for the simulation of non-Markovian dynamics of molecules adsorbed in microporous materials.
[electronic resource]
by
Pintus, Alberto M
Gabrieli, Andrea
Pazzona, Federico G
Demontis, Pierfranco
Suffritti, Giuseppe B
Producer:
20151020
In:
The Journal of chemical physics
vol. 141
Online resources:
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