| 1 |
Corannulene as a Lewis base: Computational modeling of protonation and lithium cation binding
Frash MV, Hopkinson AC, Bohme DK
Journal of the American Chemical Society, 123(27), 6687, 2001 |
| 2 |
Activation of small alkanes in Ga-exchanged zeolites: A quantum chemical study of ethane dehydrogenation
Frash MV, van Santen RA
Journal of Physical Chemistry A, 104(11), 2468, 2000 |
| 3 |
Gas-phase coordination of Mg+, (c-C5H5)Mg+, and (c-C5H5)(2)Mg+ with saturated hydrocarbons
Milburn RK, Frash MV, Hopkinson AC, Bohme DK
Journal of Physical Chemistry A, 104(17), 3926, 2000 |
| 4 |
A quantum-chemical study of the C2H3F2+ and C2H3Cl2+ isomers and their interconversion. CBS-QB3 proton affinities of difluoroethenes and dichloroethenes
Frash MV, Hopkinson AC, Bohme DK
Journal of Physical Chemistry A, 103(39), 7872, 1999 |
| 5 |
A quantum-chemical study of the formation mechanism and nature of tert-butyl carbenium ions in 100% sulfuric acid
Zhurko DA, Frash MV, Kazansky VB
Catalysis Letters, 55(1), 7, 1998 |
| 6 |
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 |
| 7 |
A Quantum-Chemical Study of Hydride Transfer in Catalytic Transformations of Paraffins on Zeolites - Pathways Through Adsorbed Nonclassical Carbonium-Ions
Kazansky VB, Frash MV, Vansanten RA
Catalysis Letters, 48(1-2), 61, 1997 |
| 8 |
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 |
| 9 |
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 |
| 10 |
Quantumchemical Study of the Isobutane Cracking on Zeolites
Kazansky VB, Frash MV, Vansanten RA
Applied Catalysis A: General, 146(1), 225, 1996 |
