Activation of Small Alkanes in Ga-Exchanged Zeolites:  A Quantum Chemical Study of Ethane Dehydrogenation von Frash, M. V, van Santen, R. A

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Corannulene as a Lewis Base:  Computational Modeling of Protonation and Lithium Cation Binding von Frash, Maxim V, Hopkinson, Alan C, Bohme, Diethard K

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Density Functional and Hartree−Fock Calculations on the Cyclopropane Ring Intermediates Involved in the Zeolite-Catalyzed Skeletal Isomerization of Hydrocarbons and in the Carbon I... von Frash, M. V, Kazansky, V. B, Rigby, A. M, van Santen, R. A

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Cracking of Hydrocarbons on Zeolite Catalysts:  Density Functional and Hartree−Fock Calculations on the Mechanism of the β-Scission Reaction von Frash, M. V, Kazansky, V. B, Rigby, A. M, van Santen, R. A

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Ab initio calculations on the mechanisms of hydrocarbon conversion in zeolites: Skeletal isomerisation and olefin chemisorption von Rigby, A.M, Frash, M.V

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A quantum-chemical study of hydride transfer in catalytic transformations of paraffins on zeolites. Pathways through adsorbed nonclassical carbonium ions von KAZANSKY, V. B, FRASH, M. V, VAN SANTEN, R. A

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Activation of ethane in Zn-exchanged zeolites : a theoretical study von FRASH, M. V, VAN SANTEN, R. A

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Localized basis orbitals: Minimization of 2-electron integrals array and orthonormality of basis set von Anikin, N. A., Bugaenko, V. L., Frash, M. V., Gorb, L., Leszczynski, J.

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A quantum-chemical study of the formation mechanism and nature of tert-butyl carbenium ions in 100% sulfuric acid von ZHURKO, D. A, FRASH, M. V, KAZANSKY, V. B

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Quantumchemical study of the isobutane cracking on zeolites von Kazansky, V.B., Frash, M.V., van Santen, R.A.

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A quantum-chemical study of the geometries and electronic structures of ArO and [Ar, O, H]+ : proton affinities of singlet and triplet ArO von FRASH, M. V, HOPKINSON, A. C, BOHME, D. K

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A quantum-chemical study of adsorbed nonclassical carbonium ions as active intermediates in catalytic transformations of paraffins. II. Protolytic dehydrogenation and hydrogen-deut... von Kazansky, V. B., Frash, M. V., van Santen, R. A.

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Comparative quantum chemical studies in the framework of Gaussian approximations of the acidic characteristics of the simplest zeolite clusters and of the sulfuric acid molecule von Senchenya, I. N., Zhurko, D. A., Frash, M. V.

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Quantum-Chemical Justification of the Zeolite Acid Strength Measurement by Infrared Spectroscopy von Frash, Maxim V, Makarova, Marina A, Rigby, Anthony M

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A Quantum-Chemical Study of the C2H3F2 + and C2H3Cl2 + Isomers and Their Interconversion. CBS-QB3 Proton Affinities of Difluoroethenes and Dichloroethenes von Frash, Maxim V, Hopkinson, Alan C, Bohme, Diethard K

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ChemInform Abstract: Quantum-Chemical Modeling of the Hydrocarbon Transformations in Acid Zeolite Catalysts von Frash, M. V., Van Santen, R. A.

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A quantum-chemical study of hydride transfer from alkanes to carbenium cations in the gas phase: A comparison with liquid- and solid-acid catalytic systems von Frash, Maxim V., Solkan, Vitali N., Kazansky, Vladimir B.

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Constraining maximum event magnitude during injection-triggered seismicity von Li, Ziyan, Elsworth, Derek, Wang, Chaoyi

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Using in-situ strain measurements to evaluate the accuracy of stress estimation procedures from fracture injection/shut-in tests von Guglielmi, Yves, McClure, Mark, Burghardt, Jeffrey, Morris, Joseph P., Doe, Thomas, Knox, Hunter, Vermeul, Vince, Kneafsey, Tim, Ajo-Franklin, J., Beckers, K., Blankenship, D., Bonneville, A., Boyd, L., Burghardt, J.A., Chakravarty, A., Chen, T., Chen, Y., Chi, B., Condon, K., Dobson, P.F., Doe, T., Doughty, C.A., Elsworth, D., Feng, Z., Foris, A., Frash, L.P., Fu, P., Guglielmi, Y., Heise, J., Hopp, C., Horner, J., Hu, M., Huang, H., Huang, L., Im, K.J., Ingraham, M., Jafarov, E., Johnson, S.E., Johnston, B., Kim, K., King, D.K., Knox, H., Knox, J., Kumar, D., Kutun, K., Lee, M., Li, D., Li, K., Maceira, M., Makedonska, N., Mattson, E., McLennan, J., McLing, T., Medler, C., Mellors, R.J., Metcalfe, E., Miskimins, J., Moore, J., Morency, C.E., Morris, J.P., Nakagawa, S., Neupane, G., Newman, G., Nieto, A., Paronish, T., Petrov, P., Podgorney, R., Polsky, Y., Pope, J., Pyatina, T., Reimers, C., Roberts, B.Q., Rodríguez-Tribaldos, V., Rynders, D., Schwering, P., Sherman, C.S., Smith, M.M., Sonnenthal, E.L., Soom, F.A., Sprinkle, D.P., Sprinkle, S., Strickland, C.E., Su, J., Templeton, D., Thomle, J.N., Ulrich, C., Vachaparampil, A., Valladao, C.A., Vandermeer, W., Vermeul, V.R., Wagoner, J.L., Welch, N., White, J., White, M.D., Winterfeld, P., Wu, H., Wu, Y.S., Zhang, Y., Zhou, Q., Zoback, M.D.

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A quantum-chemical study of adsorbed nonclassical carbonium ions as active intermediates in catalytic transformations of paraffins. I: Protolytic cracking of ethane on high silica... von KAZANSKY, V. B, SENCHENYA, I. N, FRASH, M, VAN SANTEN, R. A

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