검색결과 : 20건
| No. | Article |
|---|---|
| 1 |
TS-1 from First Principles Gamba A, Tabacchi G, Fois E Journal of Physical Chemistry A, 113(52), 15006, 2009 |
| 2 |
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 |
| 3 |
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 |
| 4 |
Ab initio molecular dynamics simulation of the interaction between water and Ti in zeolitic systems Fois E, Gamba A, Spano E Journal of Physical Chemistry B, 108(1), 154, 2004 |
| 5 |
Competition between water and hydrogen peroxide at Ti center in Titanium zeolites. An ab initio study Fois E, Gamba A, Spano E Journal of Physical Chemistry B, 108(28), 9557, 2004 |
| 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 |
Structure and dynamics of the flexible triple helix of water inside VPI-5 molecular sieves Fois E, Gamba A, Tilocca A Journal of Physical Chemistry B, 106(18), 4806, 2002 |
| 8 |
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 |
| 9 |
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 |
| 10 |
Can the three-coordinated Mg site of MgO accommodate more than one CO molecule? Pelmenschikov A, Morosi G, Gamba A, Coluccia S, Martra G, Pettersson LGM Journal of Physical Chemistry B, 104(48), 11497, 2000 |