검색결과 : 12건
| No. | Article |
|---|---|
| 1 |
Host-Guest Interactions and Orientation of Dyes in the One-Dimensional Channels of Zeolite L Fois E, Tabacchi G, Devaux A, Belser P, Bruhwiler D, Calzaferri G Langmuir, 29(29), 9188, 2013 |
| 2 |
Vapor-liquid phase equilibria of water modelled by a Kim-Gordon potential Maerzke KA, McGrath MJ, Kuo IFW, Tabacchi G, Siepmann JI, Mundy CJ Chemical Physics Letters, 479(1-3), 60, 2009 |
| 3 |
TS-1 from First Principles Gamba A, Tabacchi G, Fois E Journal of Physical Chemistry A, 113(52), 15006, 2009 |
| 4 |
First principles studies on boron sites in Zeolites Trudu F, Tabacchi G, Gamba A, Fois E Journal of Physical Chemistry A, 111(45), 11626, 2007 |
| 5 |
On the role of Ti(IV) as a lewis acid in the chemistry of titanium zeolites: Formation, structure, reactivity, and aging of Ti-peroxo oxidizing intermediates. A first principles study Spano E, Tabacchi G, Gamba A, Fois E Journal of Physical Chemistry B, 110(43), 21651, 2006 |
| 6 |
Ab initio study of defect sites at the inner surfaces of mesoporous silicas Fois E, Gamba A, Tabacchi G, Coluccia S, Martra G Journal of Physical Chemistry B, 107(39), 10767, 2003 |
| 7 |
Classical polarizable force fields parametrized from ab initio calculations Tabacchi G, Mundy CJ, Hutter J, Parrinello M Journal of Chemical Physics, 117(4), 1416, 2002 |
| 8 |
First-principles study of aqueous hydroxide solutions Chen B, Park JM, Ivanov I, Tabacchi G, Klein ML, Parrinello M Journal of the American Chemical Society, 124(29), 8534, 2002 |
| 9 |
Water molecules in single file: First-principles studies of one-dimensional water chains in zeolites Fois E, Gamba A, Tabacchi G, Quartieri S, Vezzalini G Journal of Physical Chemistry B, 105(15), 3012, 2001 |
| 10 |
First-principles simulation of the intracage oxidation of nitrite to nitrate sodalite Fois E, Gamba A, Tabacchi G Chemical Physics Letters, 329(1-2), 1, 2000 |