| 1 |
Influence of the local geometry of zeolite active sites and olefin size on the stability of alkoxide intermediates
Boronat M, Zicovich-Wilson CM, Viruela P, Corma A
Journal of Physical Chemistry B, 105(45), 11169, 2001 |
| 2 |
Theoretical study of bimolecular reactions between carbenium ions and paraffins: The proposal of a common intermediate for hydride transfer, disproportionation, dehydrogenation, and alkylation
Boronat M, Viruela P, Corma A
Journal of Physical Chemistry B, 103(37), 7809, 1999 |
| 3 |
Theoretical study of the mechanism of zeolite-catalyzed isomerization reactions of linear butenes
Boronat M, Viruela P, Corma A
Journal of Physical Chemistry A, 102(6), 982, 1998 |
| 4 |
Application of SQMFF vibrational calculations to transition states : DFT and ab initio study of the kinetics of methyl azide and ethyl azide thermolysis
Arenas JF, Otero JC, Sanchez-Galvez A, Soto J, Viruela P
Journal of Physical Chemistry A, 102(7), 1146, 1998 |
| 5 |
A theoretical study of the mechanism of the hydride transfer reaction between alkanes and alkenes catalyzed by an acidic zeolite
Boronat M, Viruela P, Corma A
Journal of Physical Chemistry A, 102(48), 9863, 1998 |
| 6 |
Theoretical-Study on the Mechanism of the Hydride Transfer-Reaction Between Alkanes and Alkylcarbenium Ions
Boronat M, Viruela P, Corma A
Journal of Physical Chemistry B, 101(48), 10069, 1997 |
| 7 |
Synthesis and electrochemistry of electronegative spiroannelated methanofullerenes: Theoretical underpinning of the electronic effect of addends and a reductive cyclopropane ring-opening reaction
Knight B, Martin N, Ohno T, Orti E, Rovira C, Veciana J, VidalGancedo J, Viruela P, Viruela R, Wudl F
Journal of the American Chemical Society, 119(41), 9871, 1997 |
| 8 |
Theoretical-Study of the Mechanism of Branching Rearrangement of Carbenium Ions
Boronat M, Viruela P, Corma A
Applied Catalysis A: General, 146(1), 207, 1996 |
| 9 |
Theoretical-Study on the Mechanism of the Superacid-Catalyzed Unimolecular Isomerization of N-Butane and 1-Butene
Boronat M, Viruela P, Corma A
Journal of Physical Chemistry, 100(2), 633, 1996 |
| 10 |
A Theoretical-Study on the Mechanism of the Superacid-Catalyzed Unimolecular Isomerization of N-Alkanes and N-Alkenes - Comparison Between Ab-Initio and Density-Functional Results
Boronat M, Viruela P, Corma A
Journal of Physical Chemistry, 100(41), 16514, 1996 |
