-
1
-
-
64349125004
-
-
U.S. Patent 3,308,069
-
Wadlinger, R. L.; Kerr, G. T.; Rosinski, E. J. U.S. Patent 3,308,069, 1967.
-
(1967)
-
-
Wadlinger, R.L.1
Kerr, G.T.2
Rosinski, E.J.3
-
2
-
-
64349085878
-
-
U.S. Patent 4,046,859
-
Plank, C. J.; Rosinski, E. J.; Rubin, M. K. U.S. Patent 4,046,859, 1977.
-
(1977)
-
-
Plank, C.J.1
Rosinski, E.J.2
Rubin, M.K.3
-
5
-
-
64349092447
-
-
U.S. Patent 2,882,244
-
Milton, R. M. U.S. Patent 2,882,244, 1959.
-
(1959)
-
-
Milton, R.M.1
-
6
-
-
64349122050
-
-
U.S. Patent 3,130,007
-
Breck, D. W. U.S. Patent 3,130,007, 1964.
-
(1964)
-
-
Breck, D.W.1
-
7
-
-
0007467878
-
-
Kerr, G. T. Sci. Am. 1989, 261, 100.
-
(1989)
Sci. Am
, vol.261
, pp. 100
-
-
Kerr, G.T.1
-
8
-
-
64349094252
-
-
U.S. Patent 3,476,803
-
Pine, L. A.; Rouge, B.; U.S. Patent 3,476,803, 1969.
-
(1969)
-
-
Pine, L.A.1
Rouge, B.2
-
9
-
-
64349110376
-
-
U.S. Patent, 4,085,069
-
Alafandi, H.; Stamires, D. U.S. Patent, 4,085,069, 1978.
-
(1978)
-
-
Alafandi, H.1
Stamires, D.2
-
11
-
-
64349109531
-
-
U.S. Patent 4,429,174
-
Teng, H. H. U.S. Patent 4,429,174, 1984.
-
(1984)
-
-
Teng, H.H.1
-
13
-
-
0000748511
-
-
Engelhardt, G.; Lohse, U.; Patzelová, V.; Mägi, M.; Lippmaa, E. Zeolites 1983, 3, 239.
-
(1983)
Zeolites
, vol.3
, pp. 239
-
-
Engelhardt, G.1
Lohse, U.2
Patzelová, V.3
Mägi, M.4
Lippmaa, E.5
-
15
-
-
0001123756
-
-
Melchior, M. T.; Vaugham, D. E. W.; Pictroski, C. F. P. J. Phys. Chem. 1995, 99, 6128.
-
(1995)
J. Phys. Chem
, vol.99
, pp. 6128
-
-
Melchior, M.T.1
Vaugham, D.E.W.2
Pictroski, C.F.P.3
-
20
-
-
32644449994
-
-
Dempsey, E.; Kühl, G. H.; Olson, D. H. J. Phys. Chem. 1969, 73, 387.
-
(1969)
J. Phys. Chem
, vol.73
, pp. 387
-
-
Dempsey, E.1
Kühl, G.H.2
Olson, D.H.3
-
22
-
-
0003639122
-
-
Society of Chemistry: London
-
Milton, R. M. Molecular Sieves; Society of Chemistry: London, 1968.
-
(1968)
Molecular Sieves
-
-
Milton, R.M.1
-
23
-
-
0000082947
-
Zeolite Chemistry and Catalysis
-
Rabo, J. A, Ed, The American Chemical Society: Washington, DC
-
Rabo, J. A., Ed. Zeolite Chemistry and Catalysis; American Chemical Society Monograph 171; The American Chemical Society: Washington, DC, 1976.
-
(1976)
American Chemical Society Monograph
, vol.171
-
-
-
25
-
-
0012446383
-
-
Corma, A.; Garcia, H.; Iborra, S.; Primo, J. J. Catal. 1989, 120, 78.
-
(1989)
J. Catal
, vol.120
, pp. 78
-
-
Corma, A.1
Garcia, H.2
Iborra, S.3
Primo, J.4
-
27
-
-
31144444482
-
-
Niwa, M.; Suzuki, K.; Isamoto, K.; Katada, N. J. Phys. Chem. B 2006, 110, 264.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 264
-
-
Niwa, M.1
Suzuki, K.2
Isamoto, K.3
Katada, N.4
-
28
-
-
0002435095
-
-
Freude, D.; Hunger, M.; Pfeifer, H.; Schwieger, W. Chem. Phys. Lett. 1986, 128, 62.
-
(1986)
Chem. Phys. Lett
, vol.128
, pp. 62
-
-
Freude, D.1
Hunger, M.2
Pfeifer, H.3
Schwieger, W.4
-
29
-
-
0000834402
-
-
Lercher, J. A.; Gründling, C.; Eder-Mirth, G. Catal. Today 1996, 27, 353.
-
(1996)
Catal. Today
, vol.27
, pp. 353
-
-
Lercher, J.A.1
Gründling, C.2
Eder-Mirth, G.3
-
31
-
-
0012137905
-
-
Pelmenshchikov, A. G.; Pavlov, V. I.; Zhidomirov, G. M.; Beran, S. J. Phys. Chem. 1987, 91, 3325.
-
(1987)
J. Phys. Chem
, vol.91
, pp. 3325
-
-
Pelmenshchikov, A.G.1
Pavlov, V.I.2
Zhidomirov, G.M.3
Beran, S.4
-
34
-
-
0024963965
-
-
Pelmenshchikov, A. G.; Paukshtis, E. A.; Stepanov, V. G.; Pavlov, V. I.; Yurchenko, E. N.; Ione, K. G.; Zhidomirov, G. M.; Beran, S. J. Phys. Chem. 1989, 93, 6725.
-
(1989)
J. Phys. Chem
, vol.93
, pp. 6725
-
-
Pelmenshchikov, A.G.1
Paukshtis, E.A.2
Stepanov, V.G.3
Pavlov, V.I.4
Yurchenko, E.N.5
Ione, K.G.6
Zhidomirov, G.M.7
Beran, S.8
-
35
-
-
33751391688
-
-
Brand, H. V.; Curtiss, L. A.; Iton, L. E. J. Phys. Chem. 1992, 96, 7725.
-
(1992)
J. Phys. Chem
, vol.96
, pp. 7725
-
-
Brand, H.V.1
Curtiss, L.A.2
Iton, L.E.3
-
36
-
-
33748650613
-
-
Datka, J.; Broclawik, E.; Gil, B.; Sierka, M. J. Chem. Soc., Faraday Trans. 1996, 92, 4643.
-
(1996)
J. Chem. Soc., Faraday Trans
, vol.92
, pp. 4643
-
-
Datka, J.1
Broclawik, E.2
Gil, B.3
Sierka, M.4
-
37
-
-
0000433648
-
-
Sierka, M.; Eichler, U.; Datka, J.; Sauer, J. J. Phys. Chem. B 1998, 102, 6397.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 6397
-
-
Sierka, M.1
Eichler, U.2
Datka, J.3
Sauer, J.4
-
38
-
-
0031272650
-
-
Eichler, U.; Brändle, M.; Sauer, J. J Phys. Chem. B 1997, 101, 10035.
-
(1997)
J Phys. Chem. B
, vol.101
, pp. 10035
-
-
Eichler, U.1
Brändle, M.2
Sauer, J.3
-
39
-
-
37049138542
-
-
Jacobs, P. A.; Uytterhoeven, J. B. J. Chem. Soc., Faraday Trans. I 1973, 69, 359.
-
(1973)
J. Chem. Soc., Faraday Trans. I
, vol.69
, pp. 359
-
-
Jacobs, P.A.1
Uytterhoeven, J.B.2
-
40
-
-
0000078575
-
-
Czjzek, M.; Jobic, H.; Fitch, A. N.; Vogt, T. J. Phys. Chem. 1982, 96, 1535.
-
(1982)
J. Phys. Chem
, vol.96
, pp. 1535
-
-
Czjzek, M.1
Jobic, H.2
Fitch, A.N.3
Vogt, T.4
-
41
-
-
0000767193
-
-
Ramdas, S.; Thomas, J. M.; Klinowski, J.; Fyfe, C. A.; Hartman, J. S. Nature 1981, 292, 228.
-
(1981)
Nature
, vol.292
, pp. 228
-
-
Ramdas, S.1
Thomas, J.M.2
Klinowski, J.3
Fyfe, C.A.4
Hartman, J.S.5
-
42
-
-
37049113476
-
-
Klinowski, J.; Ramdas, S.; Thomas, J. M.; Fyfe, C. A.; Hartman, J. S. J. Chem. Soc., Faraday Trans. 2 1982, 78, 1025.
-
(1982)
J. Chem. Soc., Faraday Trans. 2
, vol.78
, pp. 1025
-
-
Klinowski, J.1
Ramdas, S.2
Thomas, J.M.3
Fyfe, C.A.4
Hartman, J.S.5
-
43
-
-
0019927181
-
-
Klinowski, J.; Thomas, J. M.; Fyfe, C. A.; Gobbi, G. C. Nature 1982, 296, 533.
-
(1982)
Nature
, vol.296
, pp. 533
-
-
Klinowski, J.1
Thomas, J.M.2
Fyfe, C.A.3
Gobbi, G.C.4
-
44
-
-
13444280494
-
-
Sarria, F. R.; Marie, O.; Saussey, J.; Daturi, M. J. Am. Chem. Soc. 2005, 109, 1660.
-
(2005)
J. Am. Chem. Soc
, vol.109
, pp. 1660
-
-
Sarria, F.R.1
Marie, O.2
Saussey, J.3
Daturi, M.4
-
45
-
-
33847632507
-
-
Suzuki, K.; Katada, N.; Niwa, M. J. Phys. Chem. C 2007, 111, 894.
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 894
-
-
Suzuki, K.1
Katada, N.2
Niwa, M.3
-
46
-
-
0942300628
-
-
Katada, N.; Kageyama, Y.; Takahara, K.; Kanai, T.; Begum, H. A.; Niwa, M. J. Mol. Catal. A 2004, 211, 119.
-
(2004)
J. Mol. Catal. A
, vol.211
, pp. 119
-
-
Katada, N.1
Kageyama, Y.2
Takahara, K.3
Kanai, T.4
Begum, H.A.5
Niwa, M.6
-
47
-
-
0000177356
-
-
Hill, J.-R.; Freeman, C. M.; Delley, B. J. Phys. Chem. A 1999, 103, 3772.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 3772
-
-
Hill, J.-R.1
Freeman, C.M.2
Delley, B.3
-
48
-
-
0141879946
-
-
Govind, N.; Andzelm, J.; Reindel, K.; Fitzgerald, G. Int. J. Mol. Sci 2002, 3, 423.
-
(2002)
Int. J. Mol. Sci
, vol.3
, pp. 423
-
-
Govind, N.1
Andzelm, J.2
Reindel, K.3
Fitzgerald, G.4
-
53
-
-
84869275317
-
-
Bučko, T.; Benco, L.; Hafner, J.; Ángyán, J. G. J. Catal. 2007, 250, 172-184.
-
(2007)
J. Catal
, vol.250
, pp. 172-184
-
-
Bučko, T.1
Benco, L.2
Hafner, J.3
Ángyán, J.G.4
-
56
-
-
23244460838
-
-
Perdew, J. P.; Chewary, J. A.; Vosko, S. H.; Jackson, K. A.; Pedersen, M. R.; Singh, D. J.; Fiolhais, C. Phys. Rev. B 1992, 46, 6671.
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chewary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pedersen, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
58
-
-
0030181006
-
-
Shah, R.; Gale, J. D.; Payne, M. C. J. Phys. Chem. 1996, 100, 11688.
-
(1996)
J. Phys. Chem
, vol.100
, pp. 11688
-
-
Shah, R.1
Gale, J.D.2
Payne, M.C.3
-
59
-
-
84869278700
-
-
p is the execution time of the parallel algorithm with p processors. It is a value, typically between zero and one, estimating how well-utilized the processors are in solving the problem, comparedtohowmucheffort is wasted in communication and synchronization.
-
p is the execution time of the parallel algorithm with p processors. It is a value, typically between zero and one, estimating how well-utilized the processors are in solving the problem, comparedtohowmucheffort is wasted in communication and synchronization.
-
-
-
-
61
-
-
0001874705
-
-
Hriljac, J. A.; Eddy, M. M.; Cheetham, A. K.; Donohue, J. A.; Ray, G. J. J. Solid State Chem. 1993, 106, 66.
-
(1993)
J. Solid State Chem
, vol.106
, pp. 66
-
-
Hriljac, J.A.1
Eddy, M.M.2
Cheetham, A.K.3
Donohue, J.A.4
Ray, G.J.5
-
63
-
-
64349104541
-
-
The calculation of OH frequencies, which is the major concern in this study, requires the evaluation of the curve energy vs OH distance. Thus, an accurate description of the energetics of the system is required, and the GGA methodology performs particularly well in this aspect
-
The calculation of OH frequencies, which is the major concern in this study, requires the evaluation of the curve "energy vs OH distance". Thus, an accurate description of the energetics of the system is required, and the GGA methodology performs particularly well in this aspect.
-
-
-
-
64
-
-
64349091345
-
-
Nonbonding Si-Si distances play a significant role in determining the structure of crystalline silicates. This has been recognised by O'Keeffe and collaborators among others. A key paper can be found in O'Keeffe, M, Hyde, B. G. Acta Crystallogr, Sect. B 1978, 34, 27
-
Nonbonding Si-Si distances play a significant role in determining the structure of crystalline silicates. This has been recognised by O'Keeffe and collaborators among others. A key paper can be found in O'Keeffe, M.; Hyde, B. G. Acta Crystallogr., Sect. B 1978, 34, 27.
-
-
-
-
65
-
-
84869278701
-
-
Geometry of SiOSi units closer to the Brønsted site do not remain nearly unchanged and, as expected, the perturbation is more noticeable close to the OH site. We have not further analyzed the extent of the local perturbation as this aspect is not relevant for this study
-
Geometry of SiOSi units closer to the Brønsted site do not remain nearly unchanged and, as expected, the perturbation is more noticeable close to the OH site. We have not further analyzed the extent of the local perturbation as this aspect is not relevant for this study.
-
-
-
-
66
-
-
0000603754
-
-
Ward, J. J. Catal. 1967, 9, 225.
-
(1967)
J. Catal
, vol.9
, pp. 225
-
-
Ward, J.1
-
67
-
-
0001487929
-
-
Jeanvoine, Y.; Angyàn, J. G.; Kresse, G.; Hafner, J. J. Phys. Chem. B 1998, 102, 5573.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 5573
-
-
Jeanvoine, Y.1
Angyàn, J.G.2
Kresse, G.3
Hafner, J.4
-
68
-
-
0000054015
-
-
Senchenya, I. N.; Kazansky, V. B.; Beran, S. J. Phys. Chem. 1986, 90, 4857.
-
(1986)
J. Phys. Chem
, vol.90
, pp. 4857
-
-
Senchenya, I.N.1
Kazansky, V.B.2
Beran, S.3
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