M. V. Frash

发表

Localized basis orbitals: Minimization of 2‐electron integrals array and orthonormality of basis set

Jerzy Leszczynski, Leonid Gorb, Nikolay A. Anikin, 2003, J. Comput. Chem..

A quantum-chemical study of the geometries and electronic structures of ArO and [Ar,O,H]+: proton affinities of singlet and triplet ArO

M. V. Frash, D. Bohme, A. C. Hopkinson, 2000 .

A quantum-chemical study of hydride transfer in catalytic transformations of paraffins on zeolites. Pathways through adsorbed nonclassical carbonium ions

M. V. Frash, R. V. van Santen, V. Kazansky, 1997 .

Activation of ethane in Zn-exchanged zeolites: a theoretical study

M. V. Frash, R. A. Santen, 2000 .

Quantum-chemical modeling of the hydrocarbon transformations in acid zeolite catalysts

M. V. Frash, R. V. van Santen, 1999 .

A quantum-chemical study of hydride transfer from alkanes tocarbenium cations in the gas phase: A comparison with liquid- andsolid-acid catalytic systems

M. V. Frash, V. Kazansky, V. Solkan, 1997 .

Corannulene as a Lewis base: computational modeling of protonation and lithium cation binding.

M. V. Frash, D. Bohme, A. C. Hopkinson, 2001, Journal of the American Chemical Society.

Gas-Phase Coordination of Mg+, (c-C5H5)Mg+, and (c-C5H5)2Mg+ with Saturated Hydrocarbons

M. V. Frash, A. Hopkinson, D. Bohme, 2000 .

A Quantum-Chemical Study of the C2H3F2+ and C2H3Cl2+ Isomers and Their Interconversion. CBS-QB3 Proton Affinities of Difluoroethenes and Dichloroethenes

M. V. Frash, A. Hopkinson, D. Bohme, 1999 .

Ab initio calculations on the mechanisms of hydrocarbon conversion in zeolites: Skeletal isomerisation and olefin chemisorption

M. V. Frash, A. Rigby, 1997 .