| Structure and dynamics of zeolites investigated by molecular dynamics P Demontis, GB Suffritti Chemical Reviews 97 (8), 2845-2878, 1997 | 309 | 1997 |
| 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 | 255* | 1988 |
| 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 | 209 | 1990 |
| Localization and mobility of benzene in sodium-Y zeolite by molecular dynamics calculations P Demontis, S Yashonath, ML Klein The Journal of Physical Chemistry 93 (13), 5016-5019, 1989 | 186 | 1989 |
| 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 | 177 | 2012 |
| 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 | 151 | 1992 |
| A molecular dynamics study of methane in zeolite NaY S Yashonath, P Demontis, ML Klein Chemical physics letters 153 (6), 551-556, 1988 | 132 | 1988 |
| 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 | 130 | 2001 |
| 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 | 125 | 2003 |
| 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 | 85 | 1987 |
| New high-pressure phases of ice P Demontis, R LeSar, ML Klein Physical review letters 60 (22), 2284, 1988 | 83 | 1988 |
| 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 | 78 | 1998 |
| 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 | 74 | 2003 |
| 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 | 72 | 1997 |
| Temperature and concentration dependence of adsorption properties of methane in NaY: a molecular dynamics study S Yashonath, P Demontis, ML Klein The Journal of Physical Chemistry 95 (15), 5881-5889, 1991 | 72 | 1991 |
| 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, 359-366, 2012 | 71 | 2012 |
| 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 | 70 | 2009 |
| 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 | 67 | 2010 |
| 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 | 67 | 2009 |
| 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 | 64 | 2008 |
