-
2
-
-
0038242984
-
-
(b) Argo, A. M.; Odzak, J. F.; Gates, B. C. J. Am. Chem. Soc. 2003, 125, 7107.
-
(2003)
J. Am. Chem. Soc
, vol.125
, pp. 7107
-
-
Argo, A.M.1
Odzak, J.F.2
Gates, B.C.3
-
3
-
-
14544275849
-
-
(c) Alexeev, O. S.; Li., F.; Amiridis, M. D.; Gates, B. C. J. Phys. Chem. B 2005, 109, 2338.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 2338
-
-
Alexeev, O.S.1
Li, F.2
Amiridis, M.D.3
Gates, B.C.4
-
4
-
-
32544450178
-
-
(d) Argo, A. M.; Odzak, J. F.; Goellner, J. F.; Lai, F. S.; Xiao, F.-S.; Gates, B. C. J. Phys. Chem. B 2006, 110, 1775.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 1775
-
-
Argo, A.M.1
Odzak, J.F.2
Goellner, J.F.3
Lai, F.S.4
Xiao, F.-S.5
Gates, B.C.6
-
6
-
-
4544369552
-
-
(a) Wei, J.; Iglesia, E. Angew. Chem., Int. Ed. 2004, 43, 3685.
-
(2004)
Angew. Chem., Int. Ed
, vol.43
, pp. 3685
-
-
Wei, J.1
Iglesia, E.2
-
9
-
-
0002207675
-
-
(b) Zhang, Z.; Wong, T.; Sachtler, W. M. H. J. Catal. 1991, 128, 13.
-
(1991)
J. Catal
, vol.128
, pp. 13
-
-
Zhang, Z.1
Wong, T.2
Sachtler, W.M.H.3
-
11
-
-
0002500921
-
-
(d) McCarthy, T. J.; Lei, G.-D.; Sachtler, W. M. H. J. Catal. 1996, 159, 90.
-
(1996)
J. Catal
, vol.159
, pp. 90
-
-
McCarthy, T.J.1
Lei, G.-D.2
Sachtler, W.M.H.3
-
12
-
-
33745025292
-
-
Cho, S. J.; Lee, J.; Lee, Y. S.; Kim, D. P. Catal. Lett. 2006, 109, 181.
-
(2006)
Catal. Lett
, vol.109
, pp. 181
-
-
Cho, S.J.1
Lee, J.2
Lee, Y.S.3
Kim, D.P.4
-
13
-
-
0038544664
-
-
(a) Garlaschelli, L.; Greco, F.; Peli, G.; Manassero, M.; Sansoni, M.; Gobetto, R.; Salassa, L.; Pergola, R. D. Eur. J. Inorg. Chem 2003, 11, 2108.
-
(2003)
Eur. J. Inorg. Chem
, vol.11
, pp. 2108
-
-
Garlaschelli, L.1
Greco, F.2
Peli, G.3
Manassero, M.4
Sansoni, M.5
Gobetto, R.6
Salassa, L.7
Pergola, R.D.8
-
14
-
-
33748850533
-
-
(b) Brayshaw, S. K.; Green, J. C.; Hazari, N.; Mclndoe, J. S.; Marken, F.; Raithby, P. R.; Weller, A. S. Angew. Chem, Int. Ed. 2006, 45, 6005.
-
(2006)
Angew. Chem, Int. Ed
, vol.45
, pp. 6005
-
-
Brayshaw, S.K.1
Green, J.C.2
Hazari, N.3
Mclndoe, J.S.4
Marken, F.5
Raithby, P.R.6
Weller, A.S.7
-
15
-
-
0031185896
-
-
(a) Libuda, J.; Frank, M.; Sandell, A.; Andersson, S.; Brühwiler, P. A.; Bäumer, M.; Mårtensson, N.; Freund, H. J. Surf. Sci. 1997, 384, 106.
-
(1997)
J. Surf. Sci
, vol.384
, pp. 106
-
-
Libuda, J.1
Frank, M.2
Sandell, A.3
Andersson, S.4
Brühwiler, P.A.5
Bäumer, M.6
Mårtensson, N.7
Freund, H.8
-
16
-
-
0001909798
-
-
(b) Heemeier, M.; Frank, M.; Libuda, J.; Wolter, K.; Kuhlenbeck, H.; Bäumer, M.; Freund, H. J. Catal. Lett. 2000, 68, 19.
-
(2000)
J. Catal. Lett
, vol.68
, pp. 19
-
-
Heemeier, M.1
Frank, M.2
Libuda, J.3
Wolter, K.4
Kuhlenbeck, H.5
Bäumer, M.6
Freund, H.7
-
17
-
-
0001511574
-
-
(a) Kawi, S.; Chang, J.-R.; Gates, B. C. J. Phys. Chem. 1993, 97, 10599.
-
(1993)
J. Phys. Chem
, vol.97
, pp. 10599
-
-
Kawi, S.1
Chang, J.-R.2
Gates, B.C.3
-
20
-
-
33846183577
-
-
Li, F.; Yu, P.; Hartl, M.; Daemen, L. L.; Eckert, J.; Gates, B. C. Z. Phys. Chem. 2006, 220, 1553.
-
(2006)
Z. Phys. Chem
, vol.220
, pp. 1553
-
-
Li, F.1
Yu, P.2
Hartl, M.3
Daemen, L.L.4
Eckert, J.5
Gates, B.C.6
-
21
-
-
0038572592
-
-
Vayssilov, G. N.; Gates, B. C.; Rösch, N. Angew. Chem., Int. Ed. 2003, 42, 1391.
-
(2003)
Angew. Chem., Int. Ed
, vol.42
, pp. 1391
-
-
Vayssilov, G.N.1
Gates, B.C.2
Rösch, N.3
-
24
-
-
34547734444
-
-
Petrova, G. P.; Vayssilov, G. N.; Rösch, N. Chem. Phys, Lett. 2007, 444, 215.
-
(2007)
Chem. Phys, Lett
, vol.444
, pp. 215
-
-
Petrova, G.P.1
Vayssilov, G.N.2
Rösch, N.3
-
25
-
-
0001393808
-
-
Ferrari, A. M.; Neyman, K. M.; Mayer, M.; Staufer, M.; Gates, B. C.; Rösch, N. J. Phys. Chem. B 1999, 103, 5311.
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 5311
-
-
Ferrari, A.M.1
Neyman, K.M.2
Mayer, M.3
Staufer, M.4
Gates, B.C.5
Rösch, N.6
-
26
-
-
0008858126
-
-
Braunstein, P, Oro, L. A, Raithby, P. R, Eds, Wiley-VCH: Weinheim, Germany
-
Pacchioni, G.; Krüger, S.; Rösch, N. In Metal Clusters in Chemistry, Braunstein, P., Oro, L. A., Raithby, P. R., Eds.; Wiley-VCH: Weinheim, Germany, 1999; p 1392.
-
(1999)
Metal Clusters in Chemistry
, pp. 1392
-
-
Pacchioni, G.1
Krüger, S.2
Rösch, N.3
-
27
-
-
22244438916
-
-
(a) Bussai, C.; Krüger, S.; Vayssilov, G. N.; Rösch, N. Phys. Chem. Chem. Phys. 2005, 7, 2656.
-
(2005)
Phys. Chem. Chem. Phys
, vol.7
, pp. 2656
-
-
Bussai, C.1
Krüger, S.2
Vayssilov, G.N.3
Rösch, N.4
-
28
-
-
33746140040
-
-
(b) Krüger, S.; Bussai, C.; Genest, A.; Rösch, N. Phys. Chem. Chem. Phys. 2006, 8, 3391.
-
(2006)
Phys. Chem. Chem. Phys
, vol.8
, pp. 3391
-
-
Krüger, S.1
Bussai, C.2
Genest, A.3
Rösch, N.4
-
30
-
-
77956656833
-
-
Seminario, J. M, Ed, Elsevier: Amsterdam
-
Rösch, N.; Krüger, S.; Mayer, M.; Nasluzov, V. A. In Recent Development and Applications of Modem Density Functional Theory. Theoretical and Computational Chemistry; Seminario, J. M., Ed.; Elsevier: Amsterdam, 1996; Vol. 4, p 497.
-
(1996)
Recent Development and Applications of Modem Density Functional Theory. Theoretical and Computational Chemistry
, vol.4
, pp. 497
-
-
Rösch, N.1
Krüger, S.2
Mayer, M.3
Nasluzov, V.A.4
-
31
-
-
35349030231
-
-
Belling, T.; Grauschopf, T.; Krüger, S.; Mayer, M.; Nörtemann, F.; Staufer, M.; Zenger, C.; Rösch, N. In High Performance Scientific and Engineering Computing; Bungartz, H.-J., Durst, F., Zenger, C., Eds.; Lecture Notes in Computational Science and Engineering; Springer: Heidelberg, Germany, 1999; 8, p 439.
-
Belling, T.; Grauschopf, T.; Krüger, S.; Mayer, M.; Nörtemann, F.; Staufer, M.; Zenger, C.; Rösch, N. In High Performance Scientific and Engineering Computing; Bungartz, H.-J., Durst, F., Zenger, C., Eds.; Lecture Notes in Computational Science and Engineering; Springer: Heidelberg, Germany, 1999; Vol. 8, p 439.
-
-
-
-
32
-
-
35348976592
-
-
Belling, T, Grauschopf, T, Krüger, S, Nörtemann, F, Staufer, M, Mayer, M, Nasluzov, V. A, Birkenheuer, U, Hu, A, Matveev, A. V, Shor, A. M, Fuchs-Rohr, M. S. K, Neyman, K. M, Ganyushin, D. I, Kerdcharoen, T, Woiterski, A, Gordienko, A. B, Majumder, S, Rösch, N. PARAGAUSS, version 3.0; Technische Universität München: Germany, 2004
-
Belling, T.; Grauschopf, T.; Krüger, S.; Nörtemann, F.; Staufer, M.; Mayer, M.; Nasluzov, V. A.; Birkenheuer, U.; Hu, A.; Matveev, A. V.; Shor, A. M.; Fuchs-Rohr, M. S. K.; Neyman, K. M.; Ganyushin, D. I.; Kerdcharoen, T.; Woiterski, A.; Gordienko, A. B.; Majumder, S.; Rösch, N. PARAGAUSS, version 3.0; Technische Universität München: Germany, 2004.
-
-
-
-
37
-
-
1542410198
-
-
Rösch, N.; Matveev, A.; Nasluzov, V. A.; Neyman, K. M.; Moskaleva, L.; Krüger, S. In Relativistic-Electronic Structure Theory. Part II: Applications; Schwerdtfeger, P., Ed.; Theoretical and Computational Chemistry Series; Elsevier: Amsterdam, 2004; 14, p 656.
-
Rösch, N.; Matveev, A.; Nasluzov, V. A.; Neyman, K. M.; Moskaleva, L.; Krüger, S. In Relativistic-Electronic Structure Theory. Part II: Applications; Schwerdtfeger, P., Ed.; Theoretical and Computational Chemistry Series; Elsevier: Amsterdam, 2004; Vol. 14, p 656.
-
-
-
-
39
-
-
0031556721
-
-
(b) Ferrari, A. M.; Neyman, K. M.; Rösch, N. J. Phys. Chem. B 1997, 101, 9292.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 9292
-
-
Ferrari, A.M.1
Neyman, K.M.2
Rösch, N.3
-
41
-
-
84990666903
-
-
(d) Pacchioni, G.; Cogliandro, G.; Bagus, P. S. Int. J. Quantum Chem. 1992, 42, 1115.
-
(1992)
Int. J. Quantum Chem
, vol.42
, pp. 1115
-
-
Pacchioni, G.1
Cogliandro, G.2
Bagus, P.S.3
-
43
-
-
1642524950
-
-
(a) Neyman, K. M.; Inntam, C.; Nasluzov, V. A.; Kosarev, R.; Rösch, N. Appl Phys. A 2004, 78, 823.
-
(2004)
Appl Phys. A
, vol.78
, pp. 823
-
-
Neyman, K.M.1
Inntam, C.2
Nasluzov, V.A.3
Kosarev, R.4
Rösch, N.5
-
44
-
-
24044446168
-
-
(b) Neyman, K. M.; Inntam, C.; Matveev, A. V.; Nasluzov, V. A.; Rösch, N. J. Am. Chem. Soc. 2005, 127, 11652.
-
(2005)
J. Am. Chem. Soc
, vol.127
, pp. 11652
-
-
Neyman, K.M.1
Inntam, C.2
Matveev, A.V.3
Nasluzov, V.A.4
Rösch, N.5
-
46
-
-
84986492477
-
-
Besler, B. H.; Merz, K. M.; Kollman, P. A. J. Comput. Chem. 1990, 11, 431.
-
(1990)
J. Comput. Chem
, vol.11
, pp. 431
-
-
Besler, B.H.1
Merz, K.M.2
Kollman, P.A.3
-
48
-
-
0034273446
-
-
(a) Vayssilov, G. N.; Lercher, J. A.; Rösch, N. J. Phys. Chem. B 2000, 104, 8614.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 8614
-
-
Vayssilov, G.N.1
Lercher, J.A.2
Rösch, N.3
-
50
-
-
11844261621
-
-
Laeri, F, Schüth, F, Simon, U, Wark, M, Eds, Wiley-VCH: Weinheim, Germany
-
(c) Rösch, N.; Vayssilov, G. N.; Neyman, K. M. In Host-Guest-Systems Based on Nano-porous Crystals; Laeri, F., Schüth, F., Simon, U., Wark, M., Eds.; Wiley-VCH: Weinheim, Germany, 2003; p 339.
-
(2003)
Host-Guest-Systems Based on Nano-porous Crystals
, pp. 339
-
-
Rösch, N.1
Vayssilov, G.N.2
Neyman, K.M.3
-
52
-
-
33747349804
-
-
Aleksandrov, H. A.; Vayssilov, G. N.; Rösch, N. J. Mol. Catal A: Chem. 2006, 256, 149.
-
(2006)
J. Mol. Catal A: Chem
, vol.256
, pp. 149
-
-
Aleksandrov, H.A.1
Vayssilov, G.N.2
Rösch, N.3
-
53
-
-
4243756886
-
-
(a) Endou, A.; Ohashi, N.; Yoshizawa, K.; Takami, S.; Kubo, M.; Miyamoto, A.; Broclawik, E. Top. Catal. 2000, 11, 271.
-
(2000)
Top. Catal
, vol.11
, pp. 271
-
-
Endou, A.1
Ohashi, N.2
Yoshizawa, K.3
Takami, S.4
Kubo, M.5
Miyamoto, A.6
Broclawik, E.7
-
54
-
-
0346219355
-
-
(b) Zhang, W.; Xiao, L.; Hirata, Y.; Pawluk, T.; Wang, L. Chem. Phys. Lett. 2004, 383, 67.
-
(2004)
Chem. Phys. Lett
, vol.383
, pp. 67
-
-
Zhang, W.1
Xiao, L.2
Hirata, Y.3
Pawluk, T.4
Wang, L.5
-
55
-
-
0030955753
-
-
Shido, T.; Okazaki, T.; Ichikawa, M. J. Mol. Catal. A: Chem 1997, 120, 33.
-
(1997)
J. Mol. Catal. A: Chem
, vol.120
, pp. 33
-
-
Shido, T.1
Okazaki, T.2
Ichikawa, M.3
-
57
-
-
34548580795
-
-
Ivanova Shor, E. A.; Nasluzov, V. A.; Shor, A. M.; Vayssilov, G. N.; Rösch, N. J. Phys. Chem. C 2007, 111, 12340.
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 12340
-
-
Ivanova Shor, E.A.1
Nasluzov, V.A.2
Shor, A.M.3
Vayssilov, G.N.4
Rösch, N.5
-
58
-
-
35348929855
-
-
2 from ref 15b, denoted as tbs, in which one hydrogen atom is in a distorted bridge position and the other is in top position next to it.
-
2 from ref 15b, denoted as tbs, in which one hydrogen atom is in a distorted bridge position and the other is in top position next to it.
-
-
-
-
59
-
-
0034516403
-
-
(a) Cai, S.-H.; Neyman, K. M.; Hu, A.; Rösch, N. J. Phys. Chem. B 2000, 104, 11506.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 11506
-
-
Cai, S.-H.1
Neyman, K.M.2
Hu, A.3
Rösch, N.4
-
60
-
-
0037524287
-
-
(b) Nasluzov, V. A.; Rivanenkov, V. V.; Shor, A. M.; Neyman, K. M.; Rösch, N. Chem. Phys. Lett. 2003, 374, 487.
-
(2003)
Chem. Phys. Lett
, vol.374
, pp. 487
-
-
Nasluzov, V.A.1
Rivanenkov, V.V.2
Shor, A.M.3
Neyman, K.M.4
Rösch, N.5
-
61
-
-
29244486819
-
-
(c) Inntam, C.; Moskaleva, L. V.; Neyman, K. M.; Nasluzov, V. A.; Rösch, N. Appl. Phys. A 2006, 82, 181.
-
(2006)
Appl. Phys. A
, vol.82
, pp. 181
-
-
Inntam, C.1
Moskaleva, L.V.2
Neyman, K.M.3
Nasluzov, V.A.4
Rösch, N.5
-
62
-
-
33845920536
-
-
(d) Neyman, K. M.; Inntam, C.; Moskaleva, L. V.; Rösch, N. Chem. Eur. J. 2007, 13, 277.
-
(2007)
Chem. Eur. J
, vol.13
, pp. 277
-
-
Neyman, K.M.1
Inntam, C.2
Moskaleva, L.V.3
Rösch, N.4
-
63
-
-
0242576046
-
-
Alexeev, O. S.; Panjabi, G.; Phillips, B. L.; Gates, B. C. Langmuir 2003, 19, 9494.
-
(2003)
Langmuir
, vol.19
, pp. 9494
-
-
Alexeev, O.S.1
Panjabi, G.2
Phillips, B.L.3
Gates, B.C.4
-
65
-
-
35348958862
-
-
4 cluster, to be comparable with energies of the present work.
-
4 cluster, to be comparable with energies of the present work.
-
-
-
-
66
-
-
35349026638
-
-
According to the way of calculation of the total number of H in the system with gas-phase clusters assuming separate hydroxylated zeo-(3H) fragment, the two points correspond to systems with four and five hydrogen atoms
-
According to the way of calculation of the total number of H in the system with gas-phase clusters assuming separate hydroxylated zeo-(3H) fragment, the two points correspond to systems with four and five hydrogen atoms.
-
-
-
-
67
-
-
22944451190
-
-
DA value quoted here was calculated from the adsorption energy of H atoms on Ir(111) at a coverage of one-third monolayer.
-
DA value quoted here was calculated from the adsorption energy of H atoms on Ir(111) at a coverage of one-third monolayer.
-
-
-
-
69
-
-
0002128061
-
-
Kip, B. J.; Duivenvoorden, F. B. M.; Koningsberger, D. C.; Prins, R. J. Catal 1987, 105, 26.
-
(1987)
J. Catal
, vol.105
, pp. 26
-
-
Kip, B.J.1
Duivenvoorden, F.B.M.2
Koningsberger, D.C.3
Prins, R.4
|