-
1
-
-
0034867872
-
-
(a) Jia, C.; Kitamura, T.; Fujiwara, Y.; Acc. Chem. Res. 2001, 34, 633-639;
-
(2001)
Acc. Chem. Res.
, vol.34
, pp. 633-639
-
-
Jia, C.1
Kitamura, T.2
Fujiwara, Y.3
-
2
-
-
0035104608
-
-
(b) Slugovc, C.; Padilla-Martinez, I.; Sirol, S.; Carmona, E. Coord. Chem. Rev. 2001, 213, 129;
-
(2001)
Coord. Chem. Rev.
, vol.213
, pp. 129
-
-
Slugovc, C.1
Padilla-Martinez, I.2
Sirol, S.3
Carmona, E.4
-
5
-
-
0000820085
-
-
(e) Arndtsen, B. A.; Bergman, R. G.; Mobley, T. A.; Peterson, T. H. Acc. Chem. Res. 1995, 28, 154-162;
-
(1995)
Acc. Chem. Res.
, vol.28
, pp. 154-162
-
-
Arndtsen, B.A.1
Bergman, R.G.2
Mobley, T.A.3
Peterson, T.H.4
-
8
-
-
79952630511
-
-
For example, the ethane dehydrogenation requires a barrier of 123.9 kcal/mol and is endothermic by 33.0 kcal/mol with zero-point energy corrections
-
(a) For example, the ethane dehydrogenation requires a barrier of 123.9 kcal/mol and is endothermic by 33.0 kcal/mol with zero-point energy corrections;
-
-
-
-
9
-
-
0030764976
-
-
(b) Bromberg, S. E.; Yang, H.; Asplund, M. C.; Lian, T.; McNamara, B. K.; Kotz, K. T.; Yeston, J. S.; Wilkens, M.; Frei, H.; Bergman, R. G.; Harris, C. B. Science 1997, 278, 260-263.
-
(1997)
Science
, vol.278
, pp. 260-263
-
-
Bromberg, S.E.1
Yang, H.2
Asplund, M.C.3
Lian, T.4
McNamara, B.K.5
Kotz, K.T.6
Yeston, J.S.7
Wilkens, M.8
Frei, H.9
Bergman, R.G.10
Harris, C.B.11
-
12
-
-
0035809970
-
-
(a) Gusev, D. G.; Dolgushin, F. M.; Antipin, M. Y. Organometallics 2001, 20, 1001-1007;
-
(2001)
Organometallics
, vol.20
, pp. 1001-1007
-
-
Gusev, D.G.1
Dolgushin, F.M.2
Antipin, M.Y.3
-
13
-
-
0035972363
-
-
(b) Gauvin, R. M.; Rozenberg, H.; Shimon, L. J. W.; Milstein, D. Organometallics 2001, 20, 1719-1724;
-
(2001)
Organometallics
, vol.20
, pp. 1719-1724
-
-
Gauvin, R.M.1
Rozenberg, H.2
Shimon, L.J.W.3
Milstein, D.4
-
14
-
-
0035844921
-
-
(c) Barrio, P.; Castarlenas, R.; Esteruelas, M. A.; Onate, E. Organometallics 2001, 20, 2635-2638;
-
(2001)
Organometallics
, vol.20
, pp. 2635-2638
-
-
Barrio, P.1
Castarlenas, R.2
Esteruelas, M.A.3
Onate, E.4
-
15
-
-
0034683376
-
-
(d) Wen, T. B.; Cheung, Y. K.; Yao, J.; Wong, W. T.; Zhou, Z. Y.; Jia, G. Organometallics 2000, 19, 3803-3809.
-
(2000)
Organometallics
, vol.19
, pp. 3803-3809
-
-
Wen, T.B.1
Cheung, Y.K.2
Yao, J.3
Wong, W.T.4
Zhou, Z.Y.5
Jia, G.6
-
16
-
-
0035972378
-
-
(a) Sundermann, A.; Uzan, O.; Martin, J. M. L. Organometallics 2001, 20, 1783-1791;
-
(2001)
Organometallics
, vol.20
, pp. 1783-1791
-
-
Sundermann, A.1
Uzan, O.2
Martin, J.M.L.3
-
17
-
-
0001538186
-
-
(b) Grushin, V. V.; Marshall, W. J.; Thorn, D. L. Adv. Synth. Cat. 2001, 343, 161-165;
-
(2001)
Adv. Synth. Cat.
, vol.343
, pp. 161-165
-
-
Grushin, V.V.1
Marshall, W.J.2
Thorn, D.L.3
-
20
-
-
0034801357
-
-
(a) Golden, J. T.; Andersen, R. A.; Bergman, R. G. J. Am. Chem. Soc. 2001, 123, 5837-5838;
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 5837-5838
-
-
Golden, J.T.1
Andersen, R.A.2
Bergman, R.G.3
-
21
-
-
0035941495
-
-
(b) Peterson, T. H.; Golden, J. T.; Bergman, R. G. J. Am. Chem. Soc. 2001, 123, 455-462;
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 455-462
-
-
Peterson, T.H.1
Golden, J.T.2
Bergman, R.G.3
-
22
-
-
0000218892
-
-
(c) Alaimo, P. J.; Arndtsen, B. A.; Bergman, R. G. Organometallics 2000, 19, 2130-2143;
-
(2000)
Organometallics
, vol.19
, pp. 2130-2143
-
-
Alaimo, P.J.1
Arndtsen, B.A.2
Bergman, R.G.3
-
23
-
-
0000247732
-
-
(d) Tani, K.; Yamagata, T.; Kataoka, Y.; Mashima, K.; J. Synth. Org. Chem. Japan 1999, 57, 656-666;
-
(1999)
J. Synth. Org. Chem. Japan
, vol.57
, pp. 656-666
-
-
Tani, K.1
Yamagata, T.2
Kataoka, Y.3
Mashima, K.4
-
25
-
-
0035354658
-
-
(a) Martin-Matute, B.; Mateo, C.; Cardenas, D. J.; Echavarren, A. M. Chem. Eur. J. 2001, 7, 2341-2348;
-
(2001)
Chem. Eur. J.
, vol.7
, pp. 2341-2348
-
-
Martin-Matute, B.1
Mateo, C.2
Cardenas, D.J.3
Echavarren, A.M.4
-
26
-
-
0034892883
-
-
(b) Catellani, M.; Cugini, F.; Tiefenthaler, D.; Can. J. Chem. 2001, 79, 742-751;
-
(2001)
Can. J. Chem.
, vol.79
, pp. 742-751
-
-
Catellani, M.1
Cugini, F.2
Tiefenthaler, D.3
-
27
-
-
0034301849
-
-
(c) Fang, X. G.; Scott, B. L.; Watkin, J. G.; Kubas, G. J. Organometallics 2000, 19, 4193-4195;
-
(2000)
Organometallics
, vol.19
, pp. 4193-4195
-
-
Fang, X.G.1
Scott, B.L.2
Watkin, J.G.3
Kubas, G.J.4
-
29
-
-
0034227840
-
-
(e) Zhuravel, M. A.; Grewal, N. S.; Glueck, D. S.; Lam, K. C.; Rheingold, A. L. Organometallics 2000, 19, 2882-2890.
-
(2000)
Organometallics
, vol.19
, pp. 2882-2890
-
-
Zhuravel, M.A.1
Grewal, N.S.2
Glueck, D.S.3
Lam, K.C.4
Rheingold, A.L.5
-
30
-
-
0034812888
-
-
(a) Johansson, L.; Ryan, O. B.; Romming, C.; Tilset, M. J. Am. Chem. Soc. 2001, 123, 6579-6590;
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 6579-6590
-
-
Johansson, L.1
Ryan, O.B.2
Romming, C.3
Tilset, M.4
-
31
-
-
0034806687
-
-
(b) Fekl, U.; Kaminsky, W.; Goldberg, K. I. J. Am. Chem. Soc. 2001, 123, 6423-6424;
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 6423-6424
-
-
Fekl, U.1
Kaminsky, W.2
Goldberg, K.I.3
-
32
-
-
0034811827
-
-
(c) Reinartz, S.; White, P. S.; Brookhart, M.; Templeton, J. L. J. Am. Chem. Soc. 2001, 123, 6425-6426;
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 6425-6426
-
-
Reinartz, S.1
White, P.S.2
Brookhart, M.3
Templeton, J.L.4
-
34
-
-
0035897441
-
-
(e) Reinartz, S.; White, P. S.; Brookhart, M.; Templeton, J. L. Organometallics 2001, 20, 1709-1712;
-
(2001)
Organometallics
, vol.20
, pp. 1709-1712
-
-
Reinartz, S.1
White, P.S.2
Brookhart, M.3
Templeton, J.L.4
-
35
-
-
0035795470
-
-
(f) Falvello, L. R.; Fernandez, S.; Larraz, C.; Llusar, R.; Navarro, R.; Urriolabeitia, E. P. Organometallics 2001, 20, 1424-1436.
-
(2001)
Organometallics
, vol.20
, pp. 1424-1436
-
-
Falvello, L.R.1
Fernandez, S.2
Larraz, C.3
Llusar, R.4
Navarro, R.5
Urriolabeitia, E.P.6
-
36
-
-
33845559549
-
-
(a) Crabtree, R. H.; Mihelcic, J. M.; Quirk, J. M. J.Am. Chem. Soc. 1979, 101, 7738-7740
-
(1979)
J.Am. Chem. Soc.
, vol.101
, pp. 7738-7740
-
-
Crabtree, R.H.1
Mihelcic, J.M.2
Quirk, J.M.3
-
37
-
-
37049112113
-
-
(b) Baudry, D.; Ephritikhine, M.; Felkin, H.; Holmes-Smith, R. Chem. Comm. 1983, 788-789;
-
(1983)
Chem. Comm.
, pp. 788-789
-
-
Baudry, D.1
Ephritikhine, M.2
Felkin, H.3
Holmes-Smith, R.4
-
41
-
-
0000739117
-
-
(a) Burk, M. J.; Crabtree, R. H.; Parnell, C. P.; Uriarte, R. J. Organometallics 1984, 3, 816-817;
-
(1984)
Organometallics
, vol.3
, pp. 816-817
-
-
Burk, M.J.1
Crabtree, R.H.2
Parnell, C.P.3
Uriarte, R.J.4
-
46
-
-
0001484773
-
-
(f) Sakakura, T.; Sodeyama, T.; Tanaka, M. New. J. Chem. 1989, 13, 737;
-
(1989)
New. J. Chem.
, vol.13
, pp. 737
-
-
Sakakura, T.1
Sodeyama, T.2
Tanaka, M.3
-
47
-
-
0001562807
-
-
(g) Maguire, J. A.; Boese, W. T.; Goldman, A. S. J. Am. Chem. Soc. 1989, 111, 7088;
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 7088
-
-
Maguire, J.A.1
Boese, W.T.2
Goldman, A.S.3
-
48
-
-
79952626651
-
-
(h) Sakakura, T.; Sodeyama, T.; Abe, F.; Tanaka, M. Chem. Lett. 1991, 297.
-
(1991)
Chem. Lett.
, vol.297
-
-
Sakakura, T.1
Sodeyama, T.2
Abe, F.3
Tanaka, M.4
-
49
-
-
0001924781
-
-
(a) Gupta, M.; Hagen, C.; Flesher, R. J.; Kaska, W. C.; Jensen, C. M. Chem. Commun. 1996, 2083;
-
(1996)
Chem. Commun.
, vol.2083
-
-
Gupta, M.1
Hagen, C.2
Flesher, R.J.3
Kaska, W.C.4
Jensen, C.M.5
-
50
-
-
0031054918
-
-
(b) Gupta, M.; Hagen, C.; Kaska, W. C.; Cramer, R. E.; Jensen, C. M. J. Am. Chem. Soc. 1997, 119, 840-841;
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 840-841
-
-
Gupta, M.1
Hagen, C.2
Kaska, W.C.3
Cramer, R.E.4
Jensen, C.M.5
-
52
-
-
33845559549
-
-
(d) Crabtree, R. H.; Mihelcic, J. M.; Quirk, J. M. J. Am. Chem. Soc. 1979, 101, 7738;
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 7738
-
-
Crabtree, R.H.1
Mihelcic, J.M.2
Quirk, J.M.3
-
53
-
-
37049112113
-
-
(e) Baudry, D.; Ephritikhine, M.; Felkin, H.; Holmes-Smith, R. Chem. Comm. 1983, 788;
-
(1983)
Chem. Comm.
, vol.788
-
-
Baudry, D.1
Ephritikhine, M.2
Felkin, H.3
Holmes-Smith, R.4
-
57
-
-
0003038416
-
-
(I) Lee, D. W.; Kaska, W. C.; Jensen, C. M. Organometallics 1998, 17, 1;
-
(1998)
Organometallics
, vol.17
, pp. 1
-
-
Lee, D.W.1
Kaska, W.C.2
Jensen, C.M.3
-
59
-
-
0000393549
-
-
(k) Xu, W. W.; Rosini, G. P.; Gupta, M.; Jensen, C. M.; Kaska, W. C.; Krogh-Jespersen, K.; Goldman, A. S. Chem. Commun. 1997, 2273;
-
(1997)
Chem. Commun.
, vol.2273
-
-
Xu, W.W.1
Rosini, G.P.2
Gupta, M.3
Jensen, C.M.4
Kaska, W.C.5
Krogh-Jespersen, K.6
Goldman, A.S.7
-
61
-
-
33845559549
-
-
(a) Crabtree, R. H.; Mihelcic, J. M.; Qirk, J. M. J. Am. Chem. Soc. 1979, 101, 7738;
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 7738
-
-
Crabtree, R.H.1
Mihelcic, J.M.2
Qirk, J.M.3
-
62
-
-
84943851899
-
-
(b) Baudry, D.; Ephrittikhine, M.; Felken, H. J. Chem. Soc. Chem. Commun. 1980, 24, 1243;
-
(1980)
J. Chem. Soc. Chem. Commun.
, vol.24
, pp. 1243
-
-
Baudry, D.1
Ephrittikhine, M.2
Felken, H.3
-
63
-
-
0002321705
-
-
(c) Bianchi, F.; Gallazzi, M. C.; Porri, L.; Diversi, P. J. Organomet. Chem. 1980, 202, 99.
-
(1980)
J. Organomet. Chem.
, vol.202
, pp. 99
-
-
Bianchi, F.1
Gallazzi, M.C.2
Porri, L.3
Diversi, P.4
-
64
-
-
79952626740
-
-
Paper #144, March 26-30, San Francisco, California
-
(a) Oevers, S.; Haenel, M. W.; Kaska, W. C. 219th ACS National Meeting, Inorg. Paper #144, March 26-30, 2000, San Francisco, California;
-
(2000)
219th ACS National Meeting Inorg.
-
-
Oevers, S.1
Haenel, M.W.2
Kaska, W.C.3
-
65
-
-
0035477073
-
-
(b) Haenel, M. W.; Oevers, S.; Angemund, K.; Kaska, W. C.; Fan, H. J.; Hall, M. B. Angew. Chem. Int. Ed. 2001, 40, 3596;
-
(2001)
Angew. Chem. Int. Ed.
, vol.40
, pp. 3596
-
-
Haenel, M.W.1
Oevers, S.2
Angemund, K.3
Kaska, W.C.4
Fan, H.J.5
Hall, M.B.6
-
66
-
-
79952626115
-
-
"Anthraphos" has previously been used to refer to the chiral ligand trans-11,12-bis(diphenylphosphino)-9,10-dihydro-9,10-ethanoanthracene
-
(c) "Anthraphos" has previously been used to refer to the chiral ligand trans-11,12-bis(diphenylphosphino)-9,10-dihydro-9,10- ethanoanthracene;
-
-
-
-
67
-
-
79952625798
-
-
Recent communication at 224th ACS National meeting in Boston, 2002 shows that anthraphos Ir(III) complex also shows catalytic property at 150 °C
-
(d) Recent communication at 224th ACS National meeting in Boston, 2002 shows that anthraphos Ir(III) complex also shows catalytic property at 150 °C.
-
-
-
-
69
-
-
0033592886
-
-
and references therein
-
Jensen, C. M. Chem. Commun. 1999, 2443-2449 and references therein.
-
(1999)
Chem. Commun.
, pp. 2443-2449
-
-
Jensen, C.M.1
-
70
-
-
79952623286
-
-
In following discussion, we are referring to the entire class of ligands whenR is unspecified. The same notation is used for anthraphos ligand
-
In following discussion, we are referring to the entire class of ligands whenR is unspecified. The same notation is used for anthraphos ligand.
-
-
-
-
71
-
-
0034718083
-
-
Sundermann, A.; Uzan, O.; Milstein, D.; Martin, J. M. L. J. Am. Chem. Soc. 2000, 122, 7095-7104.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 7095-7104
-
-
Sundermann, A.1
Uzan, O.2
Milstein, D.3
Martin, J.M.L.4
-
72
-
-
0034249953
-
-
Gusev, D. G.; Dolgushin, F. M.; Antipin, M. Y. Organometallics 2000, 19, 3429-3434.
-
(2000)
Organometallics
, vol.19
, pp. 3429-3434
-
-
Gusev, D.G.1
Dolgushin, F.M.2
Antipin, M.Y.3
-
73
-
-
0001670133
-
-
Gandelman, M.; Vigalok, A.; Shimon, L. J. W.; Milstein, D. Organometallics 1997, 16, 3981.
-
(1997)
Organometallics
, vol.16
, pp. 3981
-
-
Gandelman, M.1
Vigalok, A.2
Shimon, L.J.W.3
Milstein, D.4
-
74
-
-
0034812586
-
-
Gerisch, M.; Krumper, J. R.; Bergman, R. G.; Tilley, T. D. J.Am. Chem. Soc. 2001, 123, 5818-5819
-
(2001)
J.Am. Chem. Soc.
, vol.123
, pp. 5818-5819
-
-
Gerisch, M.1
Krumper, J.R.2
Bergman, R.G.3
Tilley, T.D.4
-
76
-
-
0035963233
-
-
erreta: 2001, 20, 3210
-
(b) Li, S.; Hall, M. B. Organometallics 2001, 20, 2153, erreta: 2001, 20, 3210;
-
(2001)
Organometallics
, vol.20
, pp. 2153
-
-
Li, S.1
Hall, M.B.2
-
78
-
-
0001788845
-
-
(a) Krogh-Jespersen, K.; Czerw, M.; Kanzelberger, M.; Goldman, A. S. J. Chem. Infor. Comp. Sci. 2001, 41, 56;
-
(2001)
J. Chem. Infor. Comp. Sci.
, vol.41
, pp. 56
-
-
Krogh-Jespersen, K.1
Czerw, M.2
Kanzelberger, M.3
Goldman, A.S.4
-
79
-
-
0037174388
-
-
(b) Krogh-Jespersen, K.; Czerw, M.; Summa, N.; Renkema, K. B.; Achord, P. D.; Goldman, A. S. J. Am. Chem. Soc. 2002, 124, 11 404-11 416;
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 11404-11416
-
-
Krogh-Jespersen, K.1
Czerw, M.2
Summa, N.3
Renkema, K.B.4
Achord, P.D.5
Goldman, A.S.6
-
80
-
-
0037121133
-
-
(c) Krogh-Jespersen, K.; Czerw, M.; Goldman, A. S. J.Mol. Catal. A 2002, 189, 95-110.
-
(2002)
J.Mol. Catal. A
, vol.189
, pp. 95-110
-
-
Krogh-Jespersen, K.1
Czerw, M.2
Goldman, A.S.3
-
83
-
-
0029810550
-
-
(c) For a review see: Lohrenz, J. C. W.; Hacobsen, H. Angew. Chem., Int. Ed. Engl. 1996, 35, 1305.
-
(1996)
Angew. Chem., Int. Ed. Engl.
, vol.35
, pp. 1305
-
-
Lohrenz, J.C.W.1
Hacobsen, H.2
-
85
-
-
0030952965
-
-
(b) Hingerling, C.; Plattner, D. A.; Chen, P. Angew. Chem. Int. Ed. Engl. 1997, 36, 243;
-
(1997)
Angew. Chem. Int. Ed. Engl.
, vol.36
, pp. 243
-
-
Hingerling, C.1
Plattner, D.A.2
Chen, P.3
-
86
-
-
0030813244
-
-
(c) Hinderling, C.; Feichtinger, D.; Plattner, D. A.; Chen, P. J. Am. Chem. Soc. 1997, 119, 10 793-10 804.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 10793-10804
-
-
Hinderling, C.1
Feichtinger, D.2
Plattner, D.A.3
Chen, P.4
-
87
-
-
0030038637
-
-
(a) Strout, D.; Zaric, S.; Niu, S.; Hall, M. B. J.Am. Chem. Soc. 1996, 118, 6068-6069;
-
(1996)
J.Am. Chem. Soc.
, vol.118
, pp. 6068-6069
-
-
Strout, D.1
Zaric, S.2
Niu, S.3
Hall, M.B.4
-
88
-
-
0000709155
-
-
(b) Jimenez-Catano, R.; Niu, S.; Hall, M. B. Organometallics 1997, 16, 1962;
-
(1997)
Organometallics
, vol.16
, pp. 1962
-
-
Jimenez-Catano, R.1
Niu, S.2
Hall, M.B.3
-
90
-
-
0001393768
-
-
(d) Niu, S.; Zaric, S.; Bayse, C. A.; Strout, D. L.; Hall, M. B. Organometallics 1998, 17, 5139-5147;
-
(1998)
Organometallics
, vol.17
, pp. 5139-5147
-
-
Niu, S.1
Zaric, S.2
Bayse, C.A.3
Strout, D.L.4
Hall, M.B.5
-
92
-
-
0000818203
-
-
(f) Han, Y. Z.; Deng, L. Q.; Ziegler, T. J. Am. Chem. Soc. 1997, 119, 5939. 26.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, Issue.5939
, pp. 26
-
-
Han, Y.Z.1
Deng, L.Q.2
Ziegler, T.3
-
97
-
-
25044455217
-
-
(b) Head-Gordon, M.; Pople, J. A.; Frisch, M. J. Chem. Phys. Lett. 1988, 153, 503;
-
(1988)
J. Chem. Phys. Lett.
, vol.153
, pp. 503
-
-
Head-Gordon, M.1
Pople, J.A.2
Frisch, M.3
-
98
-
-
0001006433
-
-
(c) Frisch, M. J.; Head-Gordon, M.; Pople, J. A. Chem. Phys. Lett. 1990, 166, 275;
-
(1990)
Chem. Phys. Lett.
, vol.166
, pp. 275
-
-
Frisch, M.J.1
Head-Gordon, M.2
Pople, J.A.3
-
99
-
-
0004214970
-
-
(d) Frisch, M. J.; Head-Gordon, M.; Pople, J. A. Chem. Phys. Lett. 1990, 166, 281;
-
(1990)
Chem. Phys. Lett.
, vol.166
, pp. 281
-
-
Frisch, M.J.1
Head-Gordon, M.2
Pople, J.A.3
-
102
-
-
84986444438
-
-
(g) Pople, J. A.; Binkley, J. S.; Seeger, R. Int. J. Quant. Chem. Symp. 1976, 10, 1;
-
(1976)
Int. J. Quant. Chem. Symp.
, vol.10
, pp. 1
-
-
Pople, J.A.1
Binkley, J.S.2
Seeger, R.3
-
104
-
-
0344980861
-
-
(i) Raghavachari, K.; Pople, J. A.; Replogle, E. S.; Head-Gordon,M. J. Phys. Chem. 1990, 94, 5579.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5579
-
-
Raghavachari, K.1
Pople, J.A.2
Replogle, E.S.3
Head-Gordon, M.4
-
105
-
-
84987058929
-
-
(a) Pople, J. A.; Seeger, R.; Krishnan, R. Int. J. Quant. Chem. Symp. 1977, 11, 149;
-
(1977)
Int. J. Quant. Chem. Symp.
, vol.11
, pp. 149
-
-
Pople, J.A.1
Seeger, R.2
Krishnan, R.3
-
106
-
-
36749114738
-
-
(b) Krishnan, R.; Schlegel, H. B; Pople, J. A. J. Chem. Phys. 1977, 72, 4654 ;
-
(1977)
J. Chem. Phys.
, vol.72
, pp. 4654
-
-
Krishnan, R.1
Schlegel, H.B.2
Pople, J.A.3
-
108
-
-
84987097935
-
-
(a) Pople, J. A.; Krishnan, R.; Schlegel, H. B.; Binkley, J. S. Int. J. Quant. Chem. XIV 1978, 545-560;
-
(1978)
Int. J. Quant. Chem.
, vol.14
, pp. 545-560
-
-
Pople, J.A.1
Krishnan, R.2
Schlegel, H.B.3
Binkley, J.S.4
-
112
-
-
36549098398
-
-
(e) Scuseria, G. E.; Janssen, C. L.; Schaefer, H. F. III. J. Chem. Phys. 1988, 89, 7382;
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 7382
-
-
Scuseria, G.E.1
Janssen, C.L.2
Schaefer Iii, H.F.3
-
114
-
-
0011682081
-
-
Pople, J. A.; Head-Gordon, M.; Raghavachari, K. J. Chem. Phys. 1987, 87, 5968.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 5968
-
-
Pople, J.A.1
Head-Gordon, M.2
Raghavachari, K.3
-
121
-
-
79952625948
-
-
(c) Rahman, M. M.; Liu, H. Y.; Prock, A.; Giering, W. P. Organometallics 1987, 6, 50;
-
(1987)
Organometallics
, vol.6
, pp. 50
-
-
Rahman, M.M.1
Liu, H.Y.2
Prock, A.3
Giering, W.P.4
-
124
-
-
0035948482
-
-
(f) Bartlett, K. L.; Goldberg, K. I.; Borden, W. T. Organometallics 2001, 20, 2669-2670.
-
(2001)
Organometallics
, vol.20
, pp. 2669-2670
-
-
Bartlett, K.L.1
Goldberg, K.I.2
Borden, W.T.3
-
125
-
-
0000384893
-
-
Riehl, J. F.; Jean, Y.; Eisenstein, O.; Pelissier, M. Organometallics 1992, 11, 729-737.
-
(1992)
Organometallics
, vol.11
, pp. 729-737
-
-
Riehl, J.F.1
Jean, Y.2
Eisenstein, O.3
Pelissier, M.4
-
126
-
-
0003466969
-
-
3rd edn.; Englewood Cli!s, N.J.: Prentice-Hall Inc.
-
(a) Moore, W. J. "Physical Chemistry", 3rd edn.; Englewood Cli!s, N.J.: Prentice-Hall Inc., 1962, p. 191.
-
(1962)
Physical Chemistry
, pp. 191
-
-
Moore, W.J.1
-
127
-
-
79952616324
-
-
Note
-
-3 atm at 423 and 523 K, respectively. The calculated correction for ethane including the statistical factor is RTln(6xP) and the ethene and dihydrogen corrections are RTln(P). The final corrections are 6.43 and 8.16 kcal/mol for ethane and -9.13 and -6.92 kcal/mol for ethene and dihydrogen at 423 and 523 K, respectively
-
-
-
-
132
-
-
0345491105
-
-
(d) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. 1988, B37, 785.
-
(1988)
Phys. Rev.
, vol.B37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
133
-
-
79952626908
-
-
note
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, Jr., J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, 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, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian, Inc., Pittsburgh PA, 1998.
-
-
-
-
136
-
-
5944261746
-
-
Perdew, J. P. Phys. Rev. 1986, B33, 8822-8824.
-
(1986)
Phys. Rev.
, vol.B33
, pp. 8822-8824
-
-
Perdew, J.P.1
-
137
-
-
79952629809
-
-
LANL2DZ: Dunning D95 basis sets on ?rst row, Los Alamos ECP plus double-cheta basis set on Na-Bi
-
(a) LANL2DZ: Dunning D95 basis sets on ?rst row, Los Alamos ECP plus double-cheta basis set on Na-Bi;
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-
-
-
140
-
-
43949164796
-
-
Hollwarth, Bohme, M.; Dapprich, S.; Ehlers, A. W.; Gobbi, A.; Jonas, V.; Kohler, K. F.; Stegmann, R.; Veldkamp, A.; Frenking, G. Chem. Phys. Lett. 1993, 208, 237-240.
-
(1993)
Chem. Phys. Lett.
, vol.208
, pp. 237-240
-
-
Hollwarth Bohme, M.1
Dapprich, S.2
Ehlers, A.W.3
Gobbi, A.4
Jonas, V.5
Kohler, K.F.6
Stegmann, R.7
Veldkamp, A.8
Frenking, G.9
-
141
-
-
0003568278
-
-
Schaefer, H. F., III, (Ed.), Plenum: New York
-
Dunning, T. H., Jr.; Hay, P. J. In: Schaefer, H. F., III, (Ed.), Modern Theoret. Chem., vol. 3; Plenum: New York, 1976.
-
(1976)
Modern Theoret. Chem.
, vol.3
-
-
Dunning Jr., T.H.1
Hay, P.J.2
-
144
-
-
0041857031
-
-
(a) Dolg, M.; Stoll, H.; Preuss, H.; Pitzer, R. M. J. Phys. Chem. 1993, 97, 5852;
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 5852
-
-
Dolg, M.1
Stoll, H.2
Preuss, H.3
Pitzer, R.M.4
-
145
-
-
79952630262
-
-
These basis sets and ECPs correspond to Revision: Fri Jun 27 1997 of the Stuttgart/Dresden groups
-
(b) These basis sets and ECPs correspond to Revision: Fri Jun 27 1997 of the Stuttgart/Dresden groups
-
-
-
-
146
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79952624179
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Note
-
(c) Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1/02/2002, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington 99352, USA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information.
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-
-
-
148
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-
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-
-
Ehlers, A. W.; Bohme, M.; Dapprich, S.; Gobbi, A.; Hollwarth, A.; Jonas, V.; Kohler, K. F.; Stegmann, R.; Veldkamp, A.; Frenking, G. Chem. Phys. Lett. 1993, 208, 111-114.
-
(1993)
Chem. Phys. Lett.
, vol.208
, pp. 111-114
-
-
Ehlers, A.W.1
Bohme, M.2
Dapprich, S.3
Gobbi, A.4
Hollwarth, A.5
Jonas, V.6
Kohler, K.F.7
Stegmann, R.8
Veldkamp, A.9
Frenking, G.10
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