-
5
-
-
0034821163
-
-
B.L. Mojet, J. Eckert, R.A. van Santen, A. Albinati, and R.E. Lechner J. Am. Chem. Soc. 123 2001 8147 8148
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 8147-8148
-
-
Mojet, B.L.1
Eckert, J.2
Van Santen, R.A.3
Albinati, A.4
Lechner, R.E.5
-
8
-
-
3042691610
-
-
X.S. Monfort, V. Branchadell, M. Sodupe, C.M. Zicovich-Wilson, E. Bribov, G. Spoto, C. Busco, and P. Ugliengo J. Phys. Chem. B 108 2004 8278 8286
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 8278-8286
-
-
Monfort, X.S.1
Branchadell, V.2
Sodupe, M.3
Zicovich-Wilson, C.M.4
Bribov, E.5
Spoto, G.6
Busco, C.7
Ugliengo, P.8
-
10
-
-
31144446555
-
-
C.O. Areán, G.T. Palomino, E. Garrone, D. Nachtigallová, and P. Nachtigall J. Phys. Chem. B 110 2006 395 402
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 395-402
-
-
Areán, C.O.1
Palomino, G.T.2
Garrone, E.3
Nachtigallová, D.4
Nachtigall, P.5
-
12
-
-
33751249014
-
-
G. Yang, L.J. Zhou, X.C. Liu, X.W. Han, and X.H. Bao J. Phys. Chem. B 110 2006 22295 22297
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 22295-22297
-
-
Yang, G.1
Zhou, L.J.2
Liu, X.C.3
Han, X.W.4
Bao, X.H.5
-
13
-
-
32444437989
-
-
C. Berlier, E. Gribov, D. Cocina, G. Spoto, and A. Zecchina J. Catal. 238 2006 243 249
-
(2006)
J. Catal.
, vol.238
, pp. 243-249
-
-
Berlier, C.1
Gribov, E.2
Cocina, D.3
Spoto, G.4
Zecchina, A.5
-
14
-
-
33847697401
-
-
F.J. Rorres, J.G. Vitillo, B. Civalleri, G. Ricchiardi, and A. Zecchina J. Phys. Chem. C 111 2007 2505 2513
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 2505-2513
-
-
Rorres, F.J.1
Vitillo, J.G.2
Civalleri, B.3
Ricchiardi, G.4
Zecchina, A.5
-
15
-
-
34447118331
-
-
P.A. Georgiev, A. Albinati, B.L. Mojet, J. Ollivier, and J. Eckert J. Am. Chem. Soc. 129 2007 8086 8087
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 8086-8087
-
-
Georgiev, P.A.1
Albinati, A.2
Mojet, B.L.3
Ollivier, J.4
Eckert, J.5
-
16
-
-
33847379775
-
-
F.J. Torres, B. Civalleri, A. Terentyev, P. Ugliengo, and C. Pisani J. Phys. Chem. C 111 2007 1871 1873
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 1871-1873
-
-
Torres, F.J.1
Civalleri, B.2
Terentyev, A.3
Ugliengo, P.4
Pisani, C.5
-
17
-
-
38349156495
-
-
L.H. Kang, W.Q. Deng, K.L. Han, T. Zhang, and Z.M. Liu Int. J. Hydrogen Energy 33 2008 105 110
-
(2008)
Int. J. Hydrogen Energy
, vol.33
, pp. 105-110
-
-
Kang, L.H.1
Deng, W.Q.2
Han, K.L.3
Zhang, T.4
Liu, Z.M.5
-
18
-
-
38849194728
-
-
E. Torres, P. Ugliengo, B. Civalleri, A. Terentyev, and C. Pisani Int. J. Hydrogen Energy 33 2008 746 754
-
(2008)
Int. J. Hydrogen Energy
, vol.33
, pp. 746-754
-
-
Torres, E.1
Ugliengo, P.2
Civalleri, B.3
Terentyev, A.4
Pisani, C.5
-
19
-
-
70449595494
-
-
G. Yang, L.J. Zhou, X.C. Liu, X.W. Han, and X.H. Bao J. Phys. Chem. C 113 2009 18184 18190
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 18184-18190
-
-
Yang, G.1
Zhou, L.J.2
Liu, X.C.3
Han, X.W.4
Bao, X.H.5
-
24
-
-
77953082548
-
-
G. Yang, J. Guan, L.J. Zhou, X.W. Han, and X.H. Bao Catal. Surv. Asia 14 2010 85 94
-
(2010)
Catal. Surv. Asia
, vol.14
, pp. 85-94
-
-
Yang, G.1
Guan, J.2
Zhou, L.J.3
Han, X.W.4
Bao, X.H.5
-
26
-
-
65949089418
-
-
G.T. Palomino, B. Bonelli, C.O. Areán, J.B. Barra, M.R.L. Carayol, M. Armandi, C.O. Ania, and E. Garrone Int. J. Hydrogen Energy 34 2009 4371 4378
-
(2009)
Int. J. Hydrogen Energy
, vol.34
, pp. 4371-4378
-
-
Palomino, G.T.1
Bonelli, B.2
Areán, C.O.3
Barra, J.B.4
Carayol, M.R.L.5
Armandi, M.6
Ania, C.O.7
Garrone, E.8
-
28
-
-
77958535304
-
-
C.O. Areán, S. Chavan, C.P. Cabello, E. Garrone, and G.T. Palomino ChemPhysChem 11 2010 3237 3242
-
(2010)
ChemPhysChem
, vol.11
, pp. 3237-3242
-
-
Areán, C.O.1
Chavan, S.2
Cabello, C.P.3
Garrone, E.4
Palomino, G.T.5
-
30
-
-
77950974630
-
-
and references therein.
-
P.J. Smeets, J. S. Woertink, B.F. Sels, E.I. Solomon, R.A. Schoonheydt, Inorg. Chem. 49 (2010) 3573-3583 and references therein.
-
(2010)
Inorg. Chem.
, vol.49
, pp. 3573-3583
-
-
Smeets, P.J.1
Woertink, J.S.2
Sels, B.F.3
Solomon, E.I.4
Schoonheydt, R.A.5
-
32
-
-
0242440795
-
-
S.H. Choi, B.R. Wood, J.A. Ryder, and A.T. Bell J. Phys. Chem. B 107 2003 1851 11843 11851
-
(1851)
J. Phys. Chem. B
, vol.107
, Issue.2003
, pp. 11843-11851
-
-
Choi, S.H.1
Wood, B.R.2
Ryder, J.A.3
Bell, A.T.4
-
34
-
-
59649089739
-
-
G. Yang, J. Guan, L.J. Zhou, X.C. Liu, X.W. Han, and X.H. Bao J. Photochem. Photobio. A: Chemistry 202 2009 122 127
-
(2009)
J. Photochem. Photobio. A: Chemistry
, vol.202
, pp. 122-127
-
-
Yang, G.1
Guan, J.2
Zhou, L.J.3
Liu, X.C.4
Han, X.W.5
Bao, X.H.6
-
36
-
-
79551501191
-
-
G. Yang, L.J. Zhou, X.C. Liu, X.W. Han, and X.H. Bao Chem. Eur. J. 17 2011 1614 1621
-
(2011)
Chem. Eur. J.
, vol.17
, pp. 1614-1621
-
-
Yang, G.1
Zhou, L.J.2
Liu, X.C.3
Han, X.W.4
Bao, X.H.5
-
40
-
-
11244282931
-
-
Gaussian Inc., Wallingford CT
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, T. Jr. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, M.W.P. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J.A. Pople, Gaussian 03, Revision D.01, Gaussian Inc., Wallingford CT, 2004.
-
(2004)
Gaussian 03, Revision D.01
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery, J.A.7
T. Jr. Vreven8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Adamo, C.36
Jaramillo, J.37
Gomperts, R.38
Stratmann, R.E.39
Yazyev, O.40
Austin, A.J.41
Cammi, R.42
Pomelli, C.43
Ochterski, J.W.44
Ayala, P.Y.45
Morokuma, K.46
Voth, G.A.47
Salvador, P.48
Dannenberg, J.J.49
Zakrzewski, V.G.50
Dapprich, S.51
Daniels, A.D.52
Strain, M.C.53
Farkas, O.54
Malick, D.K.55
Rabuck, A.D.56
Raghavachari, K.57
Foresman, J.B.58
Ortiz, J.V.59
Cui, Q.60
Baboul, A.G.61
Clifford, S.62
Cioslowski, J.63
Stefanov, B.B.64
Liu, G.65
Liashenko, A.66
Piskorz, P.67
Komaromi, I.68
Martin, R.L.69
Fox, D.J.70
Keith, T.71
Al-Laham, M.A.72
Peng, C.Y.73
Nanayakkara, A.74
Challacombe, M.75
Gill, M.W.P.76
Johnson, B.77
Chen, W.78
Wong, M.W.79
Gonzalez, C.80
Pople, J.A.81
more..
-
41
-
-
0033515394
-
-
S. Dapprich, I. Komaromi, K.S. Byun, K. Morokuma, and M. Frisch J. Mol. Struct. Theochem 461-462 1999 1 21
-
(1999)
J. Mol. Struct. Theochem
, vol.461-462
, pp. 1-21
-
-
Dapprich, S.1
Komaromi, I.2
Byun, K.S.3
Morokuma, K.4
Frisch, M.5
-
42
-
-
61449147171
-
-
M. Lundberg, T. Kawatsu, T. Vreven, M.J. Frisch, and K. Morokuma J. Chem. Theory and Comput. 5 2009 222 234
-
(2009)
J. Chem. Theory and Comput.
, vol.5
, pp. 222-234
-
-
Lundberg, M.1
Kawatsu, T.2
Vreven, T.3
Frisch, M.J.4
Morokuma, K.5
-
43
-
-
0141569141
-
-
S. Kasuriya, S. Namuangruk, P. Treesukol, M. Tirtowidjojo, and J. Limtrakul J. Catal. 219 2003 320 328
-
(2003)
J. Catal.
, vol.219
, pp. 320-328
-
-
Kasuriya, S.1
Namuangruk, S.2
Treesukol, P.3
Tirtowidjojo, M.4
Limtrakul, J.5
-
44
-
-
20044387766
-
-
A.M. Zheng, L. Chen, J. Yang, Y. Yue, C.H. Ye, X. Lu, and F. Deng Chem. Commun. 2005 2474 2476
-
(2005)
Chem. Commun.
, pp. 2474-2476
-
-
Zheng, A.M.1
Chen, L.2
Yang, J.3
Yue, Y.4
Ye, C.H.5
Lu, X.6
Deng, F.7
-
45
-
-
14844350480
-
-
X. Solans-Monfort, M. Sodupe, V. Branchadell, J. Sauer, R. Orlando, and P. Ugliengo J. Phys. Chem. B 109 2005 3539 3545
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 3539-3545
-
-
Solans-Monfort, X.1
Sodupe, M.2
Branchadell, V.3
Sauer, J.4
Orlando, R.5
Ugliengo, P.6
-
47
-
-
79954596673
-
-
A.M. Zheng, J. Xu, S.H. Li, Y.Y. Chu, L. Chen, and F. Deng J. Phys. Chem. C 115 2011 7429 7439
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 7429-7439
-
-
Zheng, A.M.1
Xu, J.2
Li, S.H.3
Chu, Y.Y.4
Chen, L.5
Deng, F.6
-
50
-
-
50249098941
-
In the NBO calculations, the la element was treated with the LanL2TZ(f) basis set. in the single-point energy calculations, the low-level region was described with the LanL2DZ basis set when the metal ion is LaIII
-
L.E. Roy, P.J. Hay, R.L. Martin, In the NBO calculations, the La element was treated with the LanL2TZ(f) basis set. In the single-point energy calculations, the low-level region was described with the LanL2DZ basis set when the metal ion is LaIII. J. Chem. Theory Comput. 4 (2008) 1029-1031.
-
(2008)
J. Chem. Theory Comput
, vol.4
, pp. 1029-1031
-
-
Roy, L.E.1
Hay, P.J.2
Martin, R.L.3
-
51
-
-
49649126607
-
-
B.A. De Moor, M.F. Reyniers, M. Sierka, and J. Sauer J. Phys. Chem. C 112 2008 1812 11796 11812
-
(1812)
J. Phys. Chem. C
, vol.112
, Issue.2008
, pp. 11796-11812
-
-
De Moor, B.A.1
Reyniers, M.F.2
Sierka, M.3
Sauer, J.4
-
52
-
-
67849135614
-
-
S. Svelle, C. Tuma, X. Rozanska, T. Kerber, and J. Sauer J. Am. Chem. Soc. 131 2009 816 825
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 816-825
-
-
Svelle, S.1
Tuma, C.2
Rozanska, X.3
Kerber, T.4
Sauer, J.5
-
53
-
-
77950261499
-
-
M. Vandichel, D. Lesthaeghe, J. van der Mynsbrugge, M. Waroquier, and V. van Speybroeck J. Catal. 271 2011 67 78
-
(2011)
J. Catal.
, vol.271
, pp. 67-78
-
-
Vandichel, M.1
Lesthaeghe, D.2
Van Der Mynsbrugge, J.3
Waroquier, M.4
Van Speybroeck, V.5
-
55
-
-
80455158253
-
-
L. Cheng, L.A. Curtiss, R.S. Assary, J. Greeley, T. Kerber, and J. Sauer J. Phys. Chem. C 115 2011 21785 21790
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 21785-21790
-
-
Cheng, L.1
Curtiss, L.A.2
Assary, R.S.3
Greeley, J.4
Kerber, T.5
Sauer, J.6
-
56
-
-
63949086583
-
-
K. Jíša, J. Nováková, M. Schwarze, A. Vondrová, S. Sklenák, and Z. Sobalik J. Catal. 262 2009 27 34
-
(2009)
J. Catal.
, vol.262
, pp. 27-34
-
-
Jíša, K.1
Nováková, J.2
Schwarze, M.3
Vondrová, A.4
Sklenák, S.5
Sobalik, Z.6
-
58
-
-
0034546315
-
-
M. Afzal, G. Yasmeen, M. Saleem, J. Afzal, and J. Thermal Ana Calor. 62 2000 277 284
-
(2000)
Calor.
, vol.62
, pp. 277-284
-
-
Afzal, M.1
Yasmeen, G.2
Saleem, M.3
Afzal, J.4
Thermal Ana, J.5
-
60
-
-
21644439717
-
-
G. Yang, Y. Wang, D.H. Zhou, X.C. Liu, X.W. Han, and X.H. Bao J. Mol. Catal. A: Chemical 237 2005 36 44
-
(2005)
J. Mol. Catal. A: Chemical
, vol.237
, pp. 36-44
-
-
Yang, G.1
Wang, Y.2
Zhou, D.H.3
Liu, X.C.4
Han, X.W.5
Bao, X.H.6
-
61
-
-
67749147306
-
-
F. Nouar, J. Eckert, J.F. Eubank, P. Forster, and M. Eddaoudi J. Am. Chem. Soc. 131 2009 2864 2870
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 2864-2870
-
-
Nouar, F.1
Eckert, J.2
Eubank, J.F.3
Forster, P.4
Eddaoudi, M.5
-
65
-
-
33744945252
-
-
P. Nachtigall, E. Garrone, G.T. Palomino, M.R. Delgado, D. Nachtigallová, and C.O. Areán Phys. Chem. Chem. Phys. 8 2006 2286 2292
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 2286-2292
-
-
Nachtigall, P.1
Garrone, E.2
Palomino, G.T.3
Delgado, M.R.4
Nachtigallová, D.5
Areán, C.O.6
-
67
-
-
34547445086
-
-
L. Benco, T. Bucko, R. Grybos, J. Hafner, Z. Sobalik, J. Dedecek, S. Sklenak, and J. Hrusak J Phys. Chem. C 111 2007 9393 9402
-
(2007)
J Phys. Chem. C
, vol.111
, pp. 9393-9402
-
-
Benco, L.1
Bucko, T.2
Grybos, R.3
Hafner, J.4
Sobalik, Z.5
Dedecek, J.6
Sklenak, S.7
Hrusak, J.8
-
68
-
-
37449034996
-
-
R. Gupta, F. Agresti, S. Lo Russo, A. Maddalena, P. Palade, and G. Principi J. Alloys Comp. 450 2008 310 313
-
(2008)
J. Alloys Comp.
, vol.450
, pp. 310-313
-
-
Gupta, R.1
Agresti, F.2
Lo Russo, S.3
Maddalena, A.4
Palade, P.5
Principi, G.6
-
69
-
-
71749108984
-
-
L.Z. Quyang, Y.J. Xu, H.W. Dong, L.X. Sun, and M. Zhu Int. J. Hydrogen Energy 34 2009 9671 9676
-
(2009)
Int. J. Hydrogen Energy
, vol.34
, pp. 9671-9676
-
-
Quyang, L.Z.1
Xu, Y.J.2
Dong, H.W.3
Sun, L.X.4
Zhu, M.5
|