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 Suffritti G. B.
Suffritti G. B.
Dipartimento di Chimica, Sassari
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Structure and dynamics of zeolites investigated by molecular dynamics
P Demontis, GB Suffritti
Chemical Reviews 97 (8), 2845-2878, 1997
3001997
Molecular dynamics studies on zeolites. 3. Dehydrated zeolite A
P Demontis, GB Suffritti, S Quartieri, ES Fois, A Gamba
The Journal of physical chemistry 92 (4), 867-871, 1988
2111988
Molecular dynamics studies on zeolites. 4. Diffusion of methane in silicalite
P Demontis, ES Fois, GB Suffritti, S Quartieri
Journal of Physical Chemistry 94 (10), 4329-4334, 1990
2021990
Molecular dynamics studies on zeolites. 6. Temperature dependence of diffusion of methane in silicalite
P Demontis, GB Suffritti, ES Fois, S Quartieri
The Journal of Physical Chemistry 96 (3), 1482-1490, 1992
1481992
Force field for molecular dynamics computations in flexible ZIF-8 framework
B Zheng, M Sant, P Demontis, GB Suffritti
The Journal of Physical Chemistry C 116 (1), 933-938, 2012
1472012
Behavior of water in the hydrophobic zeolite silicalite at different temperatures. A molecular dynamics study
P Demontis, G Stara, GB Suffritti
The Journal of Physical Chemistry B 107 (18), 4426-4436, 2003
1202003
Application of the Wolf method for the evaluation of Coulombic interactions to complex condensed matter systems: Aluminosilicates and water
P Demontis, S Spanu, GB Suffritti
The Journal of Chemical Physics 114 (18), 7980-7988, 2001
1192001
Molecular dynamics studies on zeolites. II: A simple model for silicates applied to anhydrous natrolite
P Demontis, GB Suffritti, S Quartieri, ES Fois, A Gamba
Zeolites 7 (6), 522-527, 1987
115*1987
About the influence of lattice vibrations on the diffusion of methane in a cation-free LTA zeolite
S Fritzsche, M Wolfsberg, R Haberlandt, P Demontis, GB Suffritti, ...
Chemical physics letters 296 (3-4), 253-258, 1998
751998
Diffusion anomaly as a function of molecular length of linear molecules: Levitation effect
PK Ghorai, S Yashonath, P Demontis, GB Suffritti
Journal of the American Chemical Society 125 (23), 7116-7123, 2003
682003
Molecular-dynamics calculations of thermodynamic properties of metastable alloys
G Mazzone, V Rosato, M Pintore, F Delogu, PF Demontis, GB Suffritti
Physical Review B 55 (2), 837, 1997
681997
Lattice‐dynamical calculations on some rigid organic molecules
G Filippini, CM Gramaccioli, M Simonetta, GB Suffritti
The Journal of Chemical Physics 59 (9), 5088-5101, 1973
661973
NMR studies of carbon dioxide and methane self-diffusion in ZIF-8 at elevated gas pressures
AK Pusch, T Splith, L Moschkowitz, S Karmakar, R Biniwale, M Sant, ...
Adsorption 18 (5), 359-366, 2012
632012
The behaviour of water confined in zeolites: molecular dynamics simulations versus experiment
P Demontis, J Gulín-González, M Masia, GB Suffritti
Journal of Physics: Condensed Matter 22 (28), 284106, 2010
622010
A comment on the flexibility of framework in molecular dynamics simulations of zeolites
P Demontis, GB Suffritti
Microporous and Mesoporous Materials 125 (1-2), 160-168, 2009
622009
Diffusion of water in zeolites NaX and NaY studied by quasi-elastic neutron scattering and computer simulation
P Demontis, H Jobic, MA Gonzalez, GB Suffritti
The Journal of Physical Chemistry C 113 (28), 12373-12379, 2009
612009
Dynamical properties of confined water nanoclusters: Simulation study of hydrated zeolite NaA: Structural and vibrational properties
P Demontis, J Gulín-González, H Jobic, M Masia, R Sale, GB Suffritti
Acs Nano 2 (8), 1603-1614, 2008
602008
Dynamical behavior of one-dimensional water molecule chains in zeolites: Nanosecond time-scale molecular dynamics simulations of bikitaite
P Demontis, G Stara, GB Suffritti
The Journal of chemical physics 120 (19), 9233-9244, 2004
592004
Lattice-dynamical applications to crystallographic problems: consideration of the Brillouin zone sampling
G Filippini, CM Gramaccioli, M Simonetta, GB Suffritti
Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical …, 1976
571976
Molecular dynamics investigation of the diffusion of methane in a cubic symmetry zeolite of type ZK4
P Demontis, GB Suffritti
Chemical physics letters 223 (4), 355-362, 1994
531994
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