-
2
-
-
0039891587
-
-
(a) Chen, N.Y.; Kaeding, W.W.; Dwyer, G.G. J. Am. Chem. Soc. 1979, 101, 6783.
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 6783
-
-
Chen, N.Y.1
Kaeding, W.W.2
Dwyer, G.G.3
-
3
-
-
0001113277
-
-
(b) Keading, W.W.; Chu, C.; Young, L.B.; Weinstein, B.; Butter, S.A. J. Catal. 1981, 67, 159.
-
(1981)
J. Catal.
, vol.67
, pp. 159
-
-
Keading, W.W.1
Chu, C.2
Young, L.B.3
Weinstein, B.4
Butter, S.A.5
-
5
-
-
0034327489
-
-
Song, S.; Nicholas, J.B.; Haw, J.F. J. Am. Chem. Soc. 2000, 122, 10 726.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 10726
-
-
Song, S.1
Nicholas, J.B.2
Haw, J.F.3
-
6
-
-
0014745132
-
-
(a) Yashima, T.; Ahmad, H.; Yamazaki, K.; Katsuta, M.; Hara, N. J. Catal. 1970, 16, 273.
-
(1970)
J. Catal.
, vol.16
, pp. 273
-
-
Yashima, T.1
Ahmad, H.2
Yamazaki, K.3
Katsuta, M.4
Hara, N.5
-
7
-
-
49049141387
-
-
(b) Young, L.B.; Butter, S.A.; Kaeding, W.W. J. Catal. 1982, 76, 418.
-
(1982)
J. Catal.
, vol.76
, pp. 418
-
-
Young, L.B.1
Butter, S.A.2
Kaeding, W.W.3
-
8
-
-
0000678901
-
-
(c) Derouane, E.G.; Dejaifve, P.; Gabelica, Z.; Védrine, J.C. Faraday Discuss. 1982, 72, 331.
-
(1982)
Faraday Discuss.
, vol.72
, pp. 331
-
-
Derouane, E.G.1
Dejaifve, P.2
Gabelica, Z.3
Védrine, J.C.4
-
9
-
-
0000918629
-
-
(d) Vinek, H.; Rumplmayr, G.; Lercher, J.A. J. Catal. 1989, 115, 291.
-
(1989)
J. Catal.
, vol.115
, pp. 291
-
-
Vinek, H.1
Rumplmayr, G.2
Lercher, J.A.3
-
11
-
-
0001457874
-
-
(f) Espeel, P.H. J.; Vercruysse, K.A.; Debaerdemaker, M.; Jacobs, P.A. Stud. Surf. Sci. Catal. 1994, 84, 1457.
-
(1994)
Stud. Surf. Sci. Catal.
, vol.84
, pp. 1457
-
-
Espeel, P.H.J.1
Vercruysse, K.A.2
Debaerdemaker, M.3
Jacobs, P.A.4
-
13
-
-
0000253356
-
-
Denayer, J.F.; Baron, G.V.; Vanbutsele, G., Jacobs, P.A.; Martens, J.A. J. Catal. 2000, 190, 469.
-
(2000)
J. Catal.
, vol.190
, pp. 469
-
-
Denayer, J.F.1
Baron, G.V.2
Vanbutsele, G.3
Jacobs, P.A.4
Martens, J.A.5
-
14
-
-
0024621362
-
-
Haw, J.F.; Richardson, B.R.; Oshiro, I.S.; Lazo, N.L.; Speed, J. A. J. Am. Chem. Soc. 1989, 111, 2052.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 2052
-
-
Haw, J.F.1
Richardson, B.R.2
Oshiro, I.S.3
Lazo, N.L.4
Speed, J.A.5
-
16
-
-
0032577013
-
-
Xu, T.; Barich, D.H.; Goguen, P.W.; Song, W.; Wang, Z.; Nicholas, J.B.; Haw, J.F. J. Am. Chem. Soc. 1998, 120, 4025.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 4025
-
-
Xu, T.1
Barich, D.H.2
Goguen, P.W.3
Song, W.4
Wang, Z.5
Nicholas, J.B.6
Haw, J.F.7
-
18
-
-
0030817832
-
-
(b) Haw, J.F.; Xu, T.; Nicholas, J.B.; Goguen, P.W. Nature 1997, 389, 832.
-
(1997)
Nature
, vol.389
, pp. 832
-
-
Haw, J.F.1
Xu, T.2
Nicholas, J.B.3
Goguen, P.W.4
-
21
-
-
0000138449
-
-
(b) Kubelkova, L.; Novakova, J.; Nedomova, K. J. Catal. 1990, 124, 441.
-
(1990)
J. Catal.
, vol.124
, pp. 441
-
-
Kubelkova, L.1
Novakova, J.2
Nedomova, K.3
-
23
-
-
0031074895
-
-
Bosacek, V.; Ernst, H.; Freude, D.; Mildner, T. Zeolites 1997, 18, 196.
-
(1997)
Zeolites
, vol.18
, pp. 196
-
-
Bosacek, V.1
Ernst, H.2
Freude, D.3
Mildner, T.4
-
25
-
-
0030578068
-
-
(f) Nusterer, E.; Blöchl, P.E.; Schwarz, K. Chem. Phys. Lett. 1996, 253, 448.
-
(1996)
Chem. Phys. Lett.
, vol.253
, pp. 448
-
-
Nusterer, E.1
Blöchl, P.E.2
Schwarz, K.3
-
26
-
-
0033553172
-
-
(g) Stich, I.; Gale, J.D.; Terakura, K.; Payne, M.C. J. Am. Chem. Soc. 1999, 121, 3292.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 3292
-
-
Stich, I.1
Gale, J.D.2
Terakura, K.3
Payne, M.C.4
-
34
-
-
33748613233
-
-
(a) Sinclair, P.E.; Catlow, C.R.A. J. Chem. Soc., Faraday. Trans. 1996, 92, 2099.
-
(1996)
J. Chem. Soc., Faraday. Trans.
, vol.92
, pp. 2099
-
-
Sinclair, P.E.1
Catlow, C.R.A.2
-
35
-
-
0001253914
-
-
(b) Shah, R.; Gale, J.D.; Payne, M.C. J. Phys. Chem. B. 1997, 101, 4787.
-
(1997)
J. Phys. Chem. B.
, vol.101
, pp. 4787
-
-
Shah, R.1
Gale, J.D.2
Payne, M.C.3
-
36
-
-
0029402420
-
-
Beck, L.W.; Xu, T.; Nicholas, J.B.; Haw, J.F. J. Am. Chem. Soc. 1995, 117, 11 594.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 11594
-
-
Beck, L.W.1
Xu, T.2
Nicholas, J.B.3
Haw, J.F.4
-
39
-
-
0000729620
-
-
(a) Corma, A.; Sastre, G.; Viruele, R.; Zicovich-Wilson, C.J. Catal. 1992, 136, 521.
-
(1992)
J. Catal.
, vol.136
, pp. 521
-
-
Corma, A.1
Sastre, G.2
Viruele, R.3
Zicovich-Wilson, C.4
-
40
-
-
0001475077
-
-
(b) Corma, A.; Sastre, G.; Viruela, P. Stud. Surf. Sci. Catal. 1994, 84, 271.
-
(1994)
Stud. Surf. Sci. Catal.
, vol.84
, pp. 271
-
-
Corma, A.1
Sastre, G.2
Viruela, P.3
-
41
-
-
33846081971
-
-
(c) Corma, A.; Sastre, G.; Viruela, P.M. J. Mol. Catal. A. 1995, 100, 75.
-
(1995)
J. Mol. Catal. A.
, vol.100
, pp. 75
-
-
Corma, A.1
Sastre, G.2
Viruela, P.M.3
-
42
-
-
0342876686
-
-
Mortier, W.J.; Ghosh, S.K.; Shankar, S.J. Am. Chem. Soc. 1986, 108, 4315.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 4315
-
-
Mortier, W.J.1
Ghosh, S.K.2
Shankar, S.3
-
43
-
-
0034350610
-
-
Nulens, K.H.L.; Vos, A.M.; Janssens, G.O.A.; Schoonheydt, R.A. Stud. Surf. Sci. Catal., 2000, 1211.
-
(2000)
Stud. Surf. Sci. Catal.
, pp. 1211
-
-
Nulens, K.H.L.1
Vos, A.M.2
Janssens, G.O.A.3
Schoonheydt, R.A.4
-
44
-
-
0012193969
-
Alkylation and transalkylation reactions of aromatics
-
Thuhlar, D.G., Morokuma, K.
-
Blaszkowsi, S.R.; van Santen, R.A. Alkylation and Transalkylation Reactions of Aromatics In ACS Symposium Series 721: Transition State Modeling for Catalysis; Thuhlar, D.G., Morokuma, K., Eds.; 1999, p 307.
-
(1999)
ACS Symposium Series 721: Transition State Modeling for Catalysis
, pp. 307
-
-
Blaszkowsi, S.R.1
Van Santen, R.A.2
-
45
-
-
0034801472
-
-
Vos, A.M.; Rozanska, X.; Schoonheydt, R.A.; van Santen, R.A.; Hutschka, F.; Hafner, J. J. Am. Chem. Soc. 2001, 123, 2799.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 2799
-
-
Vos, A.M.1
Rozanska, X.2
Schoonheydt, R.A.3
Van Santen, R.A.4
Hutschka, F.5
Hafner, J.6
-
47
-
-
0345491105
-
-
(b) Lee, C.; Yang, W.; Parr, R.G. Phys. Rev. B, 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
48
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh PA
-
Frisch, M.J.; Trucks, G.W.; Schlegei, H.B.; Scuseria, M.A.; Robb, M.A.; Cheeseman, J.R.; Zakrzewski, V.G.; Montgomery, J.A.; Stratmann, R.E.; Burant, J.C.; Dapprich, S.; Millam, J.M.; Daniels, A. D.; Kndin, K.N.; Strain, M.C.; Farkas, O.; Tomasi, J., Barone, V., Cossi, M., Cammi, R., Mennucci, B., Pomelli, C., Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G.A.; Ayala, P.Y.; Cui, Q.; Morokuma, K.; Malick, D.K.; Rabuck, D.K.; Raghavachari, K.; Foresman, J.B.; Cioslowski, J.; Ortiz, J.V.; Stefanov, B.B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, 14 Gomperts, R.; Martin, R.L.; Fox, D.J.; Keith, T.; Al-Laham, M.A.; Peng, C.Y.; Nanayakkara, A.; Gonzales, C.; Challacombe, M.; Gill, P.M. W.; Johnson, B.G.; Chen, W.; Wong, M.W.; Andress, J.L.; Head-Gordon, M.; Replogle, E.S.; Pople, J.A. Gaussian 98 (revision A.7) Gaussian, Inc.: Pittsburgh PA, 1998.
-
(1998)
Gaussian 98 (revision A.7)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegei, H.B.3
Scuseria, M.A.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery, J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kndin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, D.K.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, L.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzales, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andress, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
50
-
-
0004290101
-
-
D. Van Nostrand Company, Inc: Toronto
-
(b) Glasstone, S. Physical Chemistry; D. Van Nostrand Company, Inc: Toronto, 1946.
-
(1946)
Physical Chemistry
-
-
Glasstone, S.1
-
57
-
-
36849137094
-
-
Fukui, K.; Yonezawa, T.; Shingu, H. J. Chem. Phys. 1952, 20, 722.
-
(1952)
J. Chem. Phys.
, vol.20
, pp. 722
-
-
Fukui, K.1
Yonezawa, T.2
Shingu, H.3
-
62
-
-
0030837872
-
-
(b) Damoun, S.; Van de Woude, G.; Mendez, S.; Geerlings, P. J. Phys. Chem. A 1997, 101, 886.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 886
-
-
Damoun, S.1
Van de Woude, G.2
Mendez, S.3
Geerlings, P.4
-
65
-
-
33845378183
-
-
Berkowitz, M.; Ghosh, S.K.; Parr, R.G. Jr. Am. Chem. Soc. 1985, 107, 6811.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 6811
-
-
Berkowitz, M.1
Ghosh, S.K.2
Parr, R.G.3
-
66
-
-
85005577407
-
-
Harbola, M.K.; Chattaraj, P.K.; Parr, R.G. Isr. J. Chem. 1991, 31, 395.
-
(1991)
Isr. J. Chem.
, vol.31
, pp. 395
-
-
Harbola, M.K.1
Chattaraj, P.K.2
Parr, R.G.3
-
67
-
-
0000140589
-
-
(a) Langenaeker, W.; De Proft, F.; Geerlings, P. J. Phys. Chem. 1995, 99, 6424.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 6424
-
-
Langenaeker, W.1
De Proft, F.2
Geerlings, P.3
-
68
-
-
0345381622
-
Molecular electrostatic potentials vs DFT descriptors of reactivity
-
(b) Geerlings, P.; Langenaeker, W.; De Proft, F.; Baeten, A. Molecular Electrostatic Potentials vs DFT descriptors of reactivity in Molecular Electrostatic Potentials - Concepts and Applications (Theoretical and Computational Chemistry, Vol. 3), 1996, 587.
-
(1996)
Molecular Electrostatic Potentials - Concepts and Applications (Theoretical and Computational Chemistry, Vol. 3)
, vol.3
, pp. 587
-
-
Geerlings, P.1
Langenaeker, W.2
De Proft, F.3
Baeten, A.K.4
-
69
-
-
0035927911
-
-
Vos, A.M.; De Proft, F.; Schoonbeydt, R.A.; Geertings, P. Chem. Commun. 2001, 11, 1108.
-
(2001)
Chem. Commun.
, vol.11
, pp. 1108
-
-
Vos, A.M.1
De Proft, F.2
Schoonbeydt, R.A.3
Geertings, P.4
-
70
-
-
0027382774
-
-
Kramer, G.J.; van Santen, R.A.; Emeïs, C.A.; Nowak, A.K. Nature 1993, 363, 529.
-
(1993)
Nature
, vol.363
, pp. 529
-
-
Kramer, G.J.1
Van Santen, R.A.2
Emeïs, C.A.3
Nowak, A.K.4
-
71
-
-
0001039651
-
-
Schoofs, B.; Martens, J.A.; Jacobs, P.A.; Schoonheydt, R.A. J. Catal. 1999, 183, 355.
-
(1999)
J. Catal.
, vol.183
, pp. 355
-
-
Schoofs, B.1
Martens, J.A.2
Jacobs, P.A.3
Schoonheydt, R.A.4
-
74
-
-
0000751771
-
-
(a) Michalak, A.; De Proft, F.; Geerlings, P.; Nalewajski, R. J. Phys. Chem. A 1999, 103, 762.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 762
-
-
Michalak, A.1
De Proft, F.2
Geerlings, P.3
Nalewajski, R.4
-
75
-
-
0001160299
-
-
(b) Balawender, R.; De Proft, F.; Komorowski, L.; Geerlings, P. J. Phys. Chem. A 1998, 102, 9912.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 9912
-
-
Balawender, R.1
De Proft, F.2
Komorowski, L.3
Geerlings, P.4
-
76
-
-
0000804278
-
-
(a) Le, T.N.; Nguyen, L.T.; Chandra, A.K.; De Proft, F.; Geerlings, P.; Nguyen, M.T. J. Chem. Soc., Perkin Trans. 1999, 2, 1249.
-
(1999)
J. Chem. Soc., Perkin Trans.
, vol.2
, pp. 1249
-
-
Le, T.N.1
Nguyen, L.T.2
Chandra, A.K.3
De Proft, F.4
Geerlings, P.5
Nguyen, M.T.6
-
77
-
-
0033618136
-
-
(b) Nguyen, L.T.; Le, T.N.; De Proft, F.; Chandra, A.K.; Langenaeker, W.; Nguyen, M.T.; Geerlings, P. J. Am. Chem. Soc. 1999, 121, 5992.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 5992
-
-
Nguyen, L.T.1
Le, T.N.2
De Proft, F.3
Chandra, A.K.4
Langenaeker, W.5
Nguyen, M.T.6
Geerlings, P.7
-
78
-
-
0003516749
-
-
Oxford University Press: New York
-
Atkins, P.W. Physical Chemistry; Oxford University Press: New York, 1998, p 784-786.
-
(1998)
Physical Chemistry
, pp. 784-786
-
-
Atkins, P.W.1
|