-
1
-
-
0002560459
-
-
edited by G. Olhmann, J. C. Vedrine, and P. A. Jacobs Elsevier, Amsterdam
-
J. Weitkamp, in Catalysis and Adsorption by Zeolites, edited by G. Olhmann, J. C. Vedrine, and P. A. Jacobs (Elsevier, Amsterdam, 1991), p. 21.
-
(1991)
Catalysis and Adsorption by Zeolites
, pp. 21
-
-
Weitkamp, J.1
-
2
-
-
1642373806
-
-
and references therein
-
A. Corma, Chem. Rev. 95, 559 (1995), and references therein.
-
(1995)
Chem. Rev.
, vol.95
, pp. 559
-
-
Corma, A.1
-
3
-
-
0031649582
-
-
T. Baba, N. Komatsu, Y. Ono, and H. Sugisawa, J. Phys. Chem. B 102, 804 (1998).
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 804
-
-
Baba, T.1
Komatsu, N.2
Ono, Y.3
Sugisawa, H.4
-
4
-
-
0032091334
-
-
T. Baba, N. Komatsu, Y. Ono, H. Sugisawa, and T. Takahashi, Micro. Meso. Mat. 22, 203 (1998).
-
(1998)
Micro. Meso. Mat.
, vol.22
, pp. 203
-
-
Baba, T.1
Komatsu, N.2
Ono, Y.3
Sugisawa, H.4
Takahashi, T.5
-
5
-
-
33751155244
-
-
P. Sarv, T. Tuherm, E. Lippmaa, K. Keskinen, and A. Root, J. Phys. Chem. 99, 13763 (1995).
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 13763
-
-
Sarv, P.1
Tuherm, T.2
Lippmaa, E.3
Keskinen, K.4
Root, A.5
-
6
-
-
4244155175
-
-
and references therein
-
J. Saner, Chem. Rev. 98, 199 (1989), and references therein.
-
(1989)
Chem. Rev.
, vol.98
, pp. 199
-
-
Saner, J.1
-
9
-
-
0001100866
-
-
J. Sauer, C. M. Kolmel, J.-R. Hill, and R. Ahlrichs, Chem. Phys. Lett. 164, 193 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.164
, pp. 193
-
-
Sauer, J.1
Kolmel, C.M.2
Hill, J.-R.3
Ahlrichs, R.4
-
14
-
-
0001224859
-
-
A. H. de Vries, P. Sherwood, S. J. Collins, A. M. Rigby, M. Rigutto, and G. J. Kramer, J. Phys. Chem. B 103, 6133 (1999).
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 6133
-
-
De Vries, A.H.1
Sherwood, P.2
Collins, S.J.3
Rigby, A.M.4
Rigutto, M.5
Kramer, G.J.6
-
15
-
-
33751391992
-
-
J. B. Nicholas, R. E. Winans, R. J. Harrison, L. E. Iton, L. A. Curtiss, and A. J. Hopfinger, J. Phys. Chem. 96, 10247 (1992).
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 10247
-
-
Nicholas, J.B.1
Winans, R.E.2
Harrison, R.J.3
Iton, L.E.4
Curtiss, L.A.5
Hopfinger, A.J.6
-
16
-
-
0001360260
-
-
E. Kassab, J. Fouquet, M. Allavena, and E. M. Evleth, J. Chem. Phys. 97, 9034 (1993).
-
(1993)
J. Chem. Phys.
, vol.97
, pp. 9034
-
-
Kassab, E.1
Fouquet, J.2
Allavena, M.3
Evleth, E.M.4
-
17
-
-
0041411367
-
-
ACS Symposium Series, edited by D. G. Truhlar and K. Morokuma ACS, Washington, Chap. 28
-
J. Sauer, M. Sierka, and F. Haase, in Transition State Modeling for Catalysis, No. 721 in ACS Symposium Series, edited by D. G. Truhlar and K. Morokuma (ACS, Washington, 1999). Chap. 28, pp. 358-367.
-
(1999)
Transition State Modeling for Catalysis
, vol.721
, pp. 358-367
-
-
Sauer, J.1
Sierka, M.2
Haase, F.3
-
27
-
-
0042399964
-
-
note
-
The Si-O(1)-Al-O(4)-Si distance in H-Y is reported in Ref. 28 to be 5.94 Å. We choose 5.8 Å and 6.0 Å to bracket the experimentally determined distance.
-
-
-
-
28
-
-
0000078575
-
-
M. Czjrek, H. Jobic, A. N. Fitch, and T. Vogt, J. Phys. Chem. 96, 1535 (1992).
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 1535
-
-
Czjrek, M.1
Jobic, H.2
Fitch, A.N.3
Vogt, T.4
-
37
-
-
26844534384
-
-
R. Krishnan, J. S. Binkley, R. Seeger, and J. A. Pople, J. Chem. Phys. 72, 650 (1980).
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
41
-
-
4143095330
-
-
R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning T.H., Jr.2
Harrison, R.J.3
-
42
-
-
0010408411
-
-
K. A. Peterson, D. E. Woon, and T. H. Dunning, Jr., J. Chem. Phys. 100, 7410 (1994).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 7410
-
-
Peterson, K.A.1
Woon, D.E.2
Dunning T.H., Jr.3
-
43
-
-
0041536947
-
-
A. Wilson, T. van Mourik, and T. H. Dunning, Jr., J. Mol. Struct.: THEOCHEM 388, 339 (1997).
-
(1997)
J. Mol. Struct.: THEOCHEM
, vol.388
, pp. 339
-
-
Wilson, A.1
Van Mourik, T.2
Dunning T.H., Jr.3
-
44
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
M. J. Frisch et al., GAUSSIAN98, Revision A.3 (Gaussian, Inc., Pittsburgh, PA, 1998).
-
(1998)
GAUSSIAN98, Revision A.3
-
-
Frisch, M.J.1
-
47
-
-
0006244148
-
-
K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
50
-
-
0004133516
-
-
Gaussian, Inc., Carnegie Office Park, Bldg. 6, Pittsburgh, PA 15106
-
GAUSSIAN98 User's Reference, 2nd ed. (Gaussian, Inc., Carnegie Office Park, Bldg. 6, Pittsburgh, PA 15106, 1999).
-
(1999)
GAUSSIAN98 User's Reference, 2nd Ed.
-
-
-
51
-
-
84987100611
-
-
J. A. Pople, R. Krishnan, H. B. Schlegel, and J. S. Binkley, Int. J. Quantum Chem., Symp. 13, 225 (1979).
-
(1979)
Int. J. Quantum Chem., Symp.
, vol.13
, pp. 225
-
-
Pople, J.A.1
Krishnan, R.2
Schlegel, H.B.3
Binkley, J.S.4
-
55
-
-
0041397664
-
-
private communication
-
P. Jeffrey Hay (private communication).
-
-
-
Jeffrey Hay, P.1
-
57
-
-
0004073321
-
-
PSITECH, Inc., Watkinsville, GA
-
C. L. Janssen, et al., PSI 2.0.8 (PSITECH, Inc., Watkinsville, GA, 1995).
-
(1995)
PSI 2.0.8
-
-
Janssen, C.L.1
-
59
-
-
0001737663
-
-
N. L. Allinger, J. T. Fermann, W. D. Allen, and H. F. Schaefer III, J. Chem. Phys. 106, 5143 (1997).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 5143
-
-
Allinger, N.L.1
Fermann, J.T.2
Allen, W.D.3
Schaefer H.F. III4
-
62
-
-
0031553266
-
-
J. Plévert, F. D. Renzo, F. Fajula, and G. Chiavi, J. Phys. Chem. B 101, 10340 (1997).
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 10340
-
-
Plévert, J.1
Renzo, F.D.2
Fajula, F.3
Chiavi, G.4
|