Quantum-Chemical Cluster Models of Acid-Base Sites of Oxide Catalysts

作者: G.M. Zhidomirov , V.B. Kazansky

DOI: 10.1016/S0360-0564(08)60592-1

关键词:

摘要: … direct application of quantumchemical methods to the problems of chemisorption and catalysis. Quantum chemistry has a rich experience in describing the local chemical interactions in …

参考文章(71)
E DETREKOY, The nature and catalytic activity of hydroxyl groups in clinoptilolite Journal of Catalysis. ,vol. 32, pp. 442- 451 ,(1974) , 10.1016/0021-9517(74)90095-5
Pavel Hobza, Joachim Sauer, Christoph Morgeneyer, Josef Hurych, Rudolf Zahradnik, Bonding ability of surface sites on silica and their effect on hydrogen bonds. A quantum-chemical and statistical thermodynamic treatment The Journal of Physical Chemistry. ,vol. 85, pp. 4061- 4067 ,(1981) , 10.1021/J150626A022
S. Beran, P. Jírů, B. Wichterlová, Fe ions in the cationic sites and in the skeleton of faujasites. A quantum chemical study Zeolites. ,vol. 2, pp. 252- 256 ,(1982) , 10.1016/S0144-2449(82)80065-1
Jos� Gayoso, Abdellatif Baba-Ahmed, “Universal” CNDO/2 method (CNDO/2-U) Theoretical Chemistry Accounts. ,vol. 62, pp. 507- 521 ,(1983) , 10.1007/BF00557927
Ernst C. Hass, Paul G. Mezey, Peter J. Plath, Non-empirical SCF molecular orbital studies on simple zeolite model systems Journal of Molecular Structure: THEOCHEM. ,vol. 87, pp. 261- 272 ,(1982) , 10.1016/0166-1280(82)80006-7
C. Minot, M.A. Van Hove, G.A. Somorjai, A covalent model for the bonding of adsorbed hydrocarbon fragments on the (111) face of platinum Surface Science. ,vol. 127, pp. 441- 460 ,(1983) , 10.1016/0039-6028(83)90040-7
Jacques C Védrine, Aline Auroux, Vera Bolis, Pierre Dejaifve, Claude Naccache, Piotr Wierzchowski, Eric G Derouane, Janos B Nagy, Jean-Pierre Gilson, Jan HC van Hooff, Jan P van den Berg, Jillus Wolthuizen, Infrared, Microcalorimetric, and Electron Spin Resonance Investigations of the Acidic Properties of the H-ZSM-5 Zeolite Journal of Catalysis. ,vol. 59, pp. 248- 262 ,(1979) , 10.1016/S0021-9517(79)80029-9