-
1
-
-
0037075422
-
-
J. F. Goellner, J. Guzman and B. C. Gates, J. Phys. Chem. B, 2003, 106, 1229.
-
(2003)
J. Phys. Chem. B
, vol.106
, pp. 1229
-
-
Goellner, J.F.1
Guzman, J.2
Gates, B.C.3
-
2
-
-
0037034027
-
-
A. M. Argo, J. F. Odzak, F. S. Lai and B. C. Gates, Nature, 2002, 415, 623.
-
(2002)
Nature
, vol.415
, pp. 623
-
-
Argo, A.M.1
Odzak, J.F.2
Lai, F.S.3
Gates, B.C.4
-
3
-
-
0034806872
-
-
A. M. Argo, J. F. Goellner, B. L. Phillips, G. A. Panjabi and B. C. Gates, J. Am. Chem. Soc., 2001, 123, 2275.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 2275
-
-
Argo, A.M.1
Goellner, J.F.2
Phillips, B.L.3
Panjabi, G.A.4
Gates, B.C.5
-
6
-
-
0031078147
-
-
S. E. Deutsch, G. Mestl, H. Knozinger and B. C. Gates, J. Phys. Chem. B, 1997, 101, 1374.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 1374
-
-
Deutsch, S.E.1
Mestl, G.2
Knozinger, H.3
Gates, B.C.4
-
8
-
-
0001511574
-
-
S. Kawi, J.-R. Chang and B. C. Gates, 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
-
9
-
-
0001393808
-
-
A. M. Ferrari, K. M. Neyman, M. Mayer, M. Staufer, B. C. Gates and N. Rösch, 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
-
10
-
-
0038572592
-
-
G. N. Vayssilov, B. C. Gates and N. Rösch, 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
-
12
-
-
0242509371
-
-
H. F. J. Van't Blik, J. B. A. D. van Zon, T. Huizinga, J. C. Vis, D. C. Koningsberger and R. Prins, J. Am. Chem. Soc., 1985, 107, 3139.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3139
-
-
Van't Blik, H.F.J.1
Van Zon, J.B.A.D.2
Huizinga, T.3
Vis, J.C.4
Koningsberger, D.C.5
Prins, R.6
-
14
-
-
11244269495
-
-
N. O. Jones, M. R. Beltran, S. N. Khanna, T. Baruah and M. R. Pederson, Phys. Rev. B, 2004, 70, 165406.
-
(2004)
Phys. Rev. B
, vol.70
, pp. 165406
-
-
Jones, N.O.1
Beltran, M.R.2
Khanna, S.N.3
Baruah, T.4
Pederson, M.R.5
-
15
-
-
4244082119
-
-
W. Biemolt, A. P. J. Jansen and R. A. van Santen, Chem. Phys. Lett., 1991, 180, 95.
-
(1991)
Chem. Phys. Lett.
, vol.180
, pp. 95
-
-
Biemolt, W.1
Jansen, A.P.J.2
Van Santen, R.A.3
-
16
-
-
0032818057
-
-
G. Panjabi, A. M. Argo and B. C. Gates, Chem. Eur. J., 1999, 5, 2417.
-
(1999)
Chem. Eur. J.
, vol.5
, pp. 2417
-
-
Panjabi, G.1
Argo, A.M.2
Gates, B.C.3
-
17
-
-
0002935664
-
-
W. A. Weber, A. Zhao and B. C. Gates, J. Catal., 1999, 82, 13.
-
(1999)
J. Catal.
, vol.82
, pp. 13
-
-
Weber, W.A.1
Zhao, A.2
Gates, B.C.3
-
20
-
-
77956656833
-
-
ed. J. M. Seminario, Elsevier, Amsterdam
-
N. Rösch, S. Krüger, M. Mayer and V. A. Nasluzov, in Recent Development and Applications of Modern Density Functional Theory. Theoretical and Computational Chemistry, ed. J. M. Seminario, Elsevier, Amsterdam, 1996, vol. 4, p. 497.
-
(1996)
Recent Development and Applications of Modern Density Functional Theory. Theoretical and Computational Chemistry
, vol.4
, pp. 497
-
-
Rösch, N.1
Krüger, S.2
Mayer, M.3
Nasluzov, V.A.4
-
21
-
-
0000974619
-
-
ed. H.-J. Bungartz, F. Durst and C. Zenger, Springer, Heidelberg
-
T. Belling, T. Grauschopf, S. Krüger, M. Mayer, F. Nörtemann, M. Staufer, C. Zenger, N. Rösch, in High Performance Scientific and Engineering Computing, ed. H.-J. Bungartz, F. Durst and C. Zenger, Springer, Heidelberg, 1999, vol. 8, p. 439.
-
(1999)
High Performance Scientific and Engineering Computing
, vol.8
, pp. 439
-
-
Belling, T.1
Grauschopf, T.2
Krüger, S.3
Mayer, M.4
Nörtemann, F.5
Staufer, M.6
Zenger, C.7
Rösch, N.8
-
22
-
-
22244485185
-
-
Technische Universität, München
-
T. Belling, T. Grauschopf, S. Krüger, F. Nörtemann, M. Staufer, M. Mayer, V. A. Nasluzov, U. Birkenheuer, A. Hu, A. V. Matveev, A. M. Shor, M. S. K. Fuchs-Rohr, K. M. Neyman, D. I. Ganyushin, T. Kerdcharoen, A. Woiterski, A. Gordienko, S. Majumder and N. Rösch, ParaGauss 3.0, Technische Universität, München, 2004.
-
(2004)
ParaGauss 3.0
-
-
Belling, T.1
Grauschopf, T.2
Krüger, S.3
Nörtemann, F.4
Staufer, M.5
Mayer, M.6
Nasluzov, V.A.7
Birkenheuer, U.8
Hu, A.9
Matveev, A.V.10
Shor, A.M.11
Fuchs-Rohr, M.S.K.12
Neyman, K.M.13
Ganyushin, D.I.14
Kerdcharoen, T.15
Woiterski, A.16
Gordienko, A.17
Majumder, S.18
Rösch, N.19
-
24
-
-
1542410198
-
-
ed. P. Schwerdtfeger, Elsevier, Amsterdam
-
N. Rösch, A. V. Matveev, V. A. Nasluzov, K. M. Neyman, L. Moskaleva and S. Krüger, in Relativistic Electronic Structure Theory - Applications, Theoretical and Computational Chemistry Series, ed. P. Schwerdtfeger, Elsevier, Amsterdam, 2004. p. 656.
-
(2004)
Relativistic Electronic Structure Theory - Applications, Theoretical and Computational Chemistry Series
, pp. 656
-
-
Rösch, N.1
Matveev, A.V.2
Nasluzov, V.A.3
Neyman, K.M.4
Moskaleva, L.5
Krüger, S.6
-
31
-
-
22244473126
-
-
(b) K. M. Neyman, P. Stroldel, S. P. Ruzankin, N. Schlensog, H. Knözinger and N. Rösch, Catal. Lett., 1995, 240, 542.
-
(1995)
Catal. Lett.
, vol.240
, pp. 542
-
-
Neyman, K.M.1
Stroldel, P.2
Ruzankin, S.P.3
Schlensog, N.4
Knözinger, H.5
Rösch, N.6
-
32
-
-
0000582695
-
-
(a) J. A. Pople, P. M. W. Gill and B. G. Johnson, Chem. Phys. Lett., 1992, 199, 557;
-
(1992)
Chem. Phys. Lett.
, vol.199
, pp. 557
-
-
Pople, J.A.1
Gill, P.M.W.2
Johnson, B.G.3
-
33
-
-
0001447932
-
-
(b) P. W. M. Gill, B. G. Johnson and J. A. Pople, Chem. Phys. Lett., 1993, 209, 506.
-
(1993)
Chem. Phys. Lett.
, vol.209
, pp. 506
-
-
Gill, P.W.M.1
Johnson, B.G.2
Pople, J.A.3
-
37
-
-
84986492477
-
-
B. H. Besler, K. M. Merz and P. A. Kollman, J. Comp. Chem., 1990, 11, 431.
-
(1990)
J. Comp. Chem.
, vol.11
, pp. 431
-
-
Besler, B.H.1
Merz, K.M.2
Kollman, P.A.3
-
38
-
-
0000526936
-
-
C. Jamorski, A. Martinez, M. Castro and D. R. Salahub, Phys. Rev. B, 1997, 55, 10905.
-
(1997)
Phys. Rev. B
, vol.55
, pp. 10905
-
-
Jamorski, C.1
Martinez, A.2
Castro, M.3
Salahub, D.R.4
-
39
-
-
0346219355
-
-
W. Zhang, L. Xiao, Y. Hirata, T. Pawluk and W. Lichang, 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
Lichang, W.5
-
40
-
-
0001308267
-
-
ed. J. Brown and P. Hofmann, Springer, Heidelberg
-
A. Görling, S. B. Trickey, P. Gisdakis and N. Rösch, in Topics in Organometallic Chemistry, ed. J. Brown and P. Hofmann, Springer, Heidelberg, 1999, vol. 4, pp. 109-165.
-
(1999)
Topics in Organometallic Chemistry
, vol.4
, pp. 109-165
-
-
Görling, A.1
Trickey, S.B.2
Gisdakis, P.3
Rösch, N.4
-
41
-
-
0000216001
-
-
S. H. Vosko, L. Wilk and M. Nusair, Can. J. Phys., 1980, 58, 1200.
-
(1980)
Can. J. Phys.
, vol.58
, pp. 1200
-
-
Vosko, S.H.1
Wilk, L.2
Nusair, M.3
-
42
-
-
4243756886
-
-
A. Endou, N. Ohashi, K. Yoshizawa, S. Takami, M. Kubo, A. Miyamoto and E. Broclawik, 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
-
43
-
-
0034212484
-
-
A. Endou, N. Ohashi, K. Yoshizawa, S. Takami, M. Kubo, A. Miyamoto and E. Broclawik, J. Phys. Chem. B, 2000, 104, 5110.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 5110
-
-
Endou, A.1
Ohashi, N.2
Yoshizawa, K.3
Takami, S.4
Kubo, M.5
Miyamoto, A.6
Broclawik, E.7
-
44
-
-
0031587255
-
-
J.-N. Feng, X.-R. Huang and Z. S. Li, Chem. Phys. Lett., 1997, 276, 334.
-
(1997)
Chem. Phys. Lett.
, vol.276
, pp. 334
-
-
Feng, J.-N.1
Huang, X.-R.2
Li, Z.S.3
-
45
-
-
0035932185
-
-
S. Krüger, M. Stener and N. Rösch, J. Chem. Phys., 2001, 114, 5207.
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 5207
-
-
Krüger, S.1
Stener, M.2
Rösch, N.3
|