| 1 |
Zeolite structure and reactivity by combined quantum-chemical-classical calculations
de Vries AH, Sherwood P, Collins SJ, Rigby AM, Rigutto M, Kramer GJ
Journal of Physical Chemistry B, 103(29), 6133, 1999 |
| 2 |
Cracking of hydrocarbons on zeolite catalysts : Density functional and Hartree-Fock calculations on the mechanism of the beta-scission reaction
Frash MV, Kazansky VB, Rigby AM, van Santen RA
Journal of Physical Chemistry B, 102(12), 2232, 1998 |
| 3 |
Mechanisms of Hydrocarbon Conversion in Zeolites - A Quantum-Mechanical Study
Rigby AM, Kramer GJ, Vansanten RA
Journal of Catalysis, 170(1), 1, 1997 |
| 4 |
Quantum-Chemical Justification of the Zeolite Acid Strength Measurement by Infrared-Spectroscopy
Frash MV, Makarova MA, Rigby AM
Journal of Physical Chemistry B, 101(12), 2116, 1997 |
| 5 |
Density-Functional and Hartree-Fock Calculations on the Cyclopropane Ring Intermediates Involved in the Zeolite-Catalyzed Skeletal Isomerization of Hydrocarbons and in the Carbon-Isotope Scrambling in 2-Propyl Cation
Frash MV, Kazansky VB, Rigby AM, Vansanten RA
Journal of Physical Chemistry B, 101(27), 5346, 1997 |
