Publications in collaboration with researchers from Instituto de Tecnología Química (5)

1997

  1. Quantum chemistry calculations on the effect of electron confinement upon the frontier molecular orbitals of ethylene and benzene in sodalite. Implications on reactivity

    Chemical Physics Letters, Vol. 264, Núm. 6, pp. 565-572

1995

  1. A quantum-chemical study of para/ortho-toluene alkylation by adsorbed methoxy species on zeolites

    Journal of Molecular Catalysis. A, Chemical, Vol. 100, Núm. 1-3, pp. 75-85

  2. Formation of surface methoxy groups on H-zeolites from methanol. A quantum chemical study

    Journal of physical chemistry, Vol. 99, Núm. 35, pp. 13224-13231

1994

  1. Orbital‐controlled reactions catalysed by zeolites: Electrophilic alkylation of aromatics

    Journal of Physical Organic Chemistry, Vol. 7, Núm. 7, pp. 364-370

  2. Quantum-chemistry calculations of surface complex and orbital control in para/ortho toluene alkylation catalyzed by big pore zeolites

    Studies in Surface Science and Catalysis, Vol. 84, Núm. C, pp. 2171-2178