-
1
-
-
42449127757
-
-
Development of a Ligand Knowledge Base
-
Development of a Ligand Knowledge Base, Part 4. See refs 2-4 for Parts 1-3.
-
Part 4. See refs 2-4 for Parts
, pp. 1-3
-
-
-
2
-
-
29344434016
-
-
Fey, N.; Tsipis, A.; Harris, S. E.; Harvey, J. N.; Orpen, A. G.; Mansson, R. A. Chem.-Eur. J. 2006, 12, 291-302.
-
(2006)
Chem.-Eur. J
, vol.12
, pp. 291-302
-
-
Fey, N.1
Tsipis, A.2
Harris, S.E.3
Harvey, J.N.4
Orpen, A.G.5
Mansson, R.A.6
-
3
-
-
33646376663
-
-
Fey, N.; Harris, S. E.; Harvey; J. N.; Orpen, A. G. J. Chem. Inf. Model. 2006, 46, 912-929.
-
(2006)
J. Chem. Inf. Model
, vol.46
, pp. 912-929
-
-
Fey, N.1
Harris, S.E.2
Harvey, J.N.3
Orpen, A.G.4
-
4
-
-
33845807472
-
-
Mansson, R. A.; Welsh, A. H.; Fey, N.; Orpen, A. G. J. Chem. Inf. Model. 2006, 46 (6), 2591-2600.
-
(2006)
J. Chem. Inf. Model
, vol.46
, Issue.6
, pp. 2591-2600
-
-
Mansson, R.A.1
Welsh, A.H.2
Fey, N.3
Orpen, A.G.4
-
5
-
-
34447532254
-
-
(a) Sparta, M.; Børve, K. J.; Jensen, V. R. J. Am. Chem. Soc. 2007, 129 (27), 8487-8499.
-
(2007)
J. Am. Chem. Soc
, vol.129
, Issue.27
, pp. 8487-8499
-
-
Sparta, M.1
Børve, K.J.2
Jensen, V.R.3
-
6
-
-
34248388959
-
-
(b) Zuidema, E.; Daura-Oller, E.; Carbó, J. J.; Bo, C.; van Leeuwen, P. W. N. M. Organometallics 2007, 26 (9), 2234-2242.
-
(2007)
Organometallics
, vol.26
, Issue.9
, pp. 2234-2242
-
-
Zuidema, E.1
Daura-Oller, E.2
Carbó, J.J.3
Bo, C.4
van Leeuwen, P.W.N.M.5
-
7
-
-
33746511636
-
-
(c) Suresh, C. H. Inorg. Chem. 2006, 45 (13), 4982-4986.
-
(2006)
Inorg. Chem
, vol.45
, Issue.13
, pp. 4982-4986
-
-
Suresh, C.H.1
-
9
-
-
12344276484
-
-
(e) Burello, E.; Farrusseng, D.; Rothenberg, G. Adv. Synth. Catal. 2004, 346, 1844-1853.
-
(2004)
Adv. Synth. Catal
, vol.346
, pp. 1844-1853
-
-
Burello, E.1
Farrusseng, D.2
Rothenberg, G.3
-
11
-
-
0013218867
-
-
(g) Wilson, M. R.; Prock, A.; Giering, W. P.; Fernandez, A. L.; Haar, C. M.; Nolan, S. P.; Foxman, B. M. Organometallics 2002, 21 (13), 2758-2763.
-
(2002)
Organometallics
, vol.21
, Issue.13
, pp. 2758-2763
-
-
Wilson, M.R.1
Prock, A.2
Giering, W.P.3
Fernandez, A.L.4
Haar, C.M.5
Nolan, S.P.6
Foxman, B.M.7
-
12
-
-
33745941522
-
-
(h) Bunten, K. A.; Chen, L.; Fernandez, A. L.; Poe, A. J. Coord. Chem. Rev. 2002, 41, 233-234.
-
(2002)
Coord. Chem. Rev
, vol.41
, pp. 233-234
-
-
Bunten, K.A.1
Chen, L.2
Fernandez, A.L.3
Poe, A.J.4
-
13
-
-
0035813332
-
-
(i) Perrin, L.; Clot, E.; Eisenstein, O.; Loch, J.; Crabtree, R. H. Inorg. Chem. 2001, 40, 5806.
-
(2001)
Inorg. Chem
, vol.40
, pp. 5806
-
-
Perrin, L.1
Clot, E.2
Eisenstein, O.3
Loch, J.4
Crabtree, R.H.5
-
14
-
-
13344282041
-
-
(j) Dias, P. B.; Piedade, M. E. M. d.; Simões, J. A. M. Coord. Chem. Rev. 1994, 135/136, 737-807.
-
(1994)
Coord. Chem. Rev
, vol.135-136
, pp. 737-807
-
-
Dias, P.B.1
Piedade, M.E.M.D.2
Simões, J.A.M.3
-
16
-
-
34250308863
-
-
Kühl, O. Can. J. Chem. 2007, 85, 230-238.
-
(2007)
Can. J. Chem
, vol.85
, pp. 230-238
-
-
Kühl, O.1
-
17
-
-
34250753728
-
-
Cobley, C. J.; Froese, R. D. J.; Klosin, J.; Qin, C.; Whiteker, G. T.; Abboud, K. A. Organometallics 2007, 26 (12), 2986-2999.
-
(2007)
Organometallics
, vol.26
, Issue.12
, pp. 2986-2999
-
-
Cobley, C.J.1
Froese, R.D.J.2
Klosin, J.3
Qin, C.4
Whiteker, G.T.5
Abboud, K.A.6
-
18
-
-
33644594632
-
-
(a) Hageman, J. A.; Westerhuis, J. A.; Fruehauf, H.-W.; Rothenberg, G. Adv. Synth. Catal. 2006, 348, 361-369.
-
(2006)
Adv. Synth. Catal
, vol.348
, pp. 361-369
-
-
Hageman, J.A.1
Westerhuis, J.A.2
Fruehauf, H.-W.3
Rothenberg, G.4
-
19
-
-
20044372013
-
-
(b) Burello, E.; Marion, P.; Galland, J.-C.; Chamard, A.; Rothenberg, G. Adv. Synth. Catal. 2005, 347, 803-810.
-
(2005)
Adv. Synth. Catal
, vol.347
, pp. 803-810
-
-
Burello, E.1
Marion, P.2
Galland, J.-C.3
Chamard, A.4
Rothenberg, G.5
-
22
-
-
0242669328
-
-
(a) Cooney, K. D.; Cundari, T. R.; Hoffman, N. W.; Pittard, K. A.; Temple, M. D.; Zhao, Y. J. Am. Chem. Soc. 2003, 125 (14), 4318-1324.
-
(2003)
J. Am. Chem. Soc
, vol.125
, Issue.14
, pp. 4318-1324
-
-
Cooney, K.D.1
Cundari, T.R.2
Hoffman, N.W.3
Pittard, K.A.4
Temple, M.D.5
Zhao, Y.6
-
24
-
-
11644311048
-
-
Tolman, C. A. Chem. Rev. 1977, 77 (3), 313.
-
(1977)
Chem. Rev
, vol.77
, Issue.3
, pp. 313
-
-
Tolman, C.A.1
-
25
-
-
7544239866
-
-
(a) Davydova, E. I.; Sevastianova, T. N.; Timoshkin, A. Y.; Suvorov, A. V.; Frenking, G. Int. J. Quantum Chem. 2004, 100 (4), 419-425.
-
(2004)
Int. J. Quantum Chem
, vol.100
, Issue.4
, pp. 419-425
-
-
Davydova, E.I.1
Sevastianova, T.N.2
Timoshkin, A.Y.3
Suvorov, A.V.4
Frenking, G.5
-
26
-
-
0344861853
-
-
(b) Vallet, V.; Wahlgren, U.; Grenthe, I. J. Am. Chem. Soc 2003, 125 (48), 14941-14950.
-
(2003)
J. Am. Chem. Soc
, vol.125
, Issue.48
, pp. 14941-14950
-
-
Vallet, V.1
Wahlgren, U.2
Grenthe, I.3
-
27
-
-
0035973717
-
-
(c) Emmenegger, F.; Schlaepfer, C. W.; Stoeckli-Evans, H.; Piccand, M.; Piekarski, H. Inorg. Chem. 2001, 40 (16), 3884-3888.
-
(2001)
Inorg. Chem
, vol.40
, Issue.16
, pp. 3884-3888
-
-
Emmenegger, F.1
Schlaepfer, C.W.2
Stoeckli-Evans, H.3
Piccand, M.4
Piekarski, H.5
-
29
-
-
33845320520
-
-
(b) Arrayas, R. G.; Adrio, J.; Carretero, J. C. Angew. Chem., Int. Ed. 2006, 45 (46), 7674-7715.
-
(2006)
Angew. Chem., Int. Ed
, vol.45
, Issue.46
, pp. 7674-7715
-
-
Arrayas, R.G.1
Adrio, J.2
Carretero, J.C.3
-
30
-
-
0037393960
-
-
Breit, B. Acc. Chem. Res. 2003, 36 (4), 264-275.
-
(2003)
Acc. Chem. Res
, vol.36
, Issue.4
, pp. 264-275
-
-
Breit, B.1
-
32
-
-
0034249672
-
-
van Leeuwen, P. W. N. M.; Kamer, P. C. J.; Reek, J. N. H.; Dierkes, P. Chem. Rev. 2000, 100 (8), 2741-2769.
-
(2000)
Chem. Rev
, vol.100
, Issue.8
, pp. 2741-2769
-
-
van Leeuwen, P.W.N.M.1
Kamer, P.C.J.2
Reek, J.N.H.3
Dierkes, P.4
-
33
-
-
1942469490
-
-
Jeulin, S.; Duprat de Paule, S.; Ratovelomanana-Vidal, V.; Genet, J.-P.; Champion, N.; Dellis, P. Proc. Natl. Acad. Sci. 2004, 101 (16), 5799-5804.
-
(2004)
Proc. Natl. Acad. Sci
, vol.101
, Issue.16
, pp. 5799-5804
-
-
Jeulin, S.1
Duprat de Paule, S.2
Ratovelomanana-Vidal, V.3
Genet, J.-P.4
Champion, N.5
Dellis, P.6
-
34
-
-
0035200787
-
-
Kamer, P. C. J.; van Leeuwen, P. W. N. M.; Reek, J. N. H. Acc. Chem. Res. 2001, 34 (11), 895-904.
-
(2001)
Acc. Chem. Res
, vol.34
, Issue.11
, pp. 895-904
-
-
Kamer, P.C.J.1
van Leeuwen, P.W.N.M.2
Reek, J.N.H.3
-
36
-
-
11944256836
-
-
(b) Casey, C. P.; Whiteker, G. P.; Melville, M. G.; Petrovich, L. M.; Gavney, J. A.; Powell, D. R. J. Am. Chem. Soc. 1992, 114 (14), 5535-5543.
-
(1992)
J. Am. Chem. Soc
, vol.114
, Issue.14
, pp. 5535-5543
-
-
Casey, C.P.1
Whiteker, G.P.2
Melville, M.G.3
Petrovich, L.M.4
Gavney, J.A.5
Powell, D.R.6
-
37
-
-
2342455028
-
-
Raebiger, J. W.; Miedaner, A.; Curtis, C. J.; Miller, S. M.; Anderson, O. P.; DuBois, D. L. J. Am. Chem. Soc. 2004, 126 (17), 5502-5514.
-
(2004)
J. Am. Chem. Soc
, vol.126
, Issue.17
, pp. 5502-5514
-
-
Raebiger, J.W.1
Miedaner, A.2
Curtis, C.J.3
Miller, S.M.4
Anderson, O.P.5
DuBois, D.L.6
-
38
-
-
27744451822
-
-
(a) Speiser, F.; Braunstein, P.; Saussine, W. Acc. Chem. Res. 2005, 38 (10), 784-793.
-
(2005)
Acc. Chem. Res
, vol.38
, Issue.10
, pp. 784-793
-
-
Speiser, F.1
Braunstein, P.2
Saussine, W.3
-
39
-
-
33645020442
-
-
(b) Hou, X. L.; You, S. L.; Tu, T.; Deng, W. P.; Wu, X. W.; Li, M.; Yuan, K.; Zhang, T. Z.; Dai, L. X. Top. Catal. 2005, 35 (1-2), 87-103.
-
(2005)
Top. Catal
, vol.35
, Issue.1-2
, pp. 87-103
-
-
Hou, X.L.1
You, S.L.2
Tu, T.3
Deng, W.P.4
Wu, X.W.5
Li, M.6
Yuan, K.7
Zhang, T.Z.8
Dai, L.X.9
-
40
-
-
12344334436
-
-
(c) Shibasaki, M.; Vogl, E. M.; Ohshima, T. Adv. Synth. Catal. 2004, 346 (13-15), 1533-1552.
-
(2004)
Adv. Synth. Catal
, vol.346
, Issue.13-15
, pp. 1533-1552
-
-
Shibasaki, M.1
Vogl, E.M.2
Ohshima, T.3
-
41
-
-
3242686379
-
-
(d) Atkinson, R. C. J.; Gibson, V. C.; Long, N. J. Chem. Soc. Rev. 2004, 33 (5), 313-328.
-
(2004)
Chem. Soc. Rev
, vol.33
, Issue.5
, pp. 313-328
-
-
Atkinson, R.C.J.1
Gibson, V.C.2
Long, N.J.3
-
42
-
-
0242269462
-
-
(e) Chelucci, G.; Orru, G.; Pinna, G. A. Tetrahedron 2003, 59 (48), 9471-9515.
-
(2003)
Tetrahedron
, vol.59
, Issue.48
, pp. 9471-9515
-
-
Chelucci, G.1
Orru, G.2
Pinna, G.A.3
-
43
-
-
0034604496
-
-
(f) Kranich, R.; Eis, K.; Geis, O.; Muhle, S.; Bats, J. W.; Schmalz, H. G. Chem.-Eur. J. 2000, 6 (15), 2874-2894.
-
(2000)
Chem.-Eur. J
, vol.6
, Issue.15
, pp. 2874-2894
-
-
Kranich, R.1
Eis, K.2
Geis, O.3
Muhle, S.4
Bats, J.W.5
Schmalz, H.G.6
-
45
-
-
0001913446
-
-
(h) Loiseleur, O.; Hayashi, M.; Keenan, M.; Schmees, N.; Pfaltz, A. J. Organomet. Chem. 1999, 576 (1-2), 16-22.
-
(1999)
J. Organomet. Chem
, vol.576
, Issue.1-2
, pp. 16-22
-
-
Loiseleur, O.1
Hayashi, M.2
Keenan, M.3
Schmees, N.4
Pfaltz, A.5
-
48
-
-
0142243158
-
-
(a) Balcells, D.; Drudis-Sole, G.; Besora, M.; Doelker, N.; Ujaque, G.; Maseras, F.; Lledos, A. Faraday Discuss. 2003, 124, 429-441.
-
(2003)
Faraday Discuss
, vol.124
, pp. 429-441
-
-
Balcells, D.1
Drudis-Sole, G.2
Besora, M.3
Doelker, N.4
Ujaque, G.5
Maseras, F.6
Lledos, A.7
-
49
-
-
0037156215
-
-
(b) Buda, C.; Burt, S. K.; Cundari, T. R.; Shenkin, P. S. Inorg. Chem. 2002, 41 (8), 2060-2069.
-
(2002)
Inorg. Chem
, vol.41
, Issue.8
, pp. 2060-2069
-
-
Buda, C.1
Burt, S.K.2
Cundari, T.R.3
Shenkin, P.S.4
-
50
-
-
0038262960
-
-
(c) Gillespie, A. M.; Morello, G. R.; White, D. P. Organometallics 2002, 21 (19), 3913-3921.
-
(2002)
Organometallics
, vol.21
, Issue.19
, pp. 3913-3921
-
-
Gillespie, A.M.1
Morello, G.R.2
White, D.P.3
-
52
-
-
0035981331
-
-
Belyakov, A. V.; Dalhus, B.; Haaland, A.; Shorokov, D. J.; Volden, H. V. J. Chem. Soc., Dalton Trans. 2002, 3756-3762.
-
(2002)
J. Chem. Soc., Dalton Trans
, pp. 3756-3762
-
-
Belyakov, A.V.1
Dalhus, B.2
Haaland, A.3
Shorokov, D.J.4
Volden, H.V.5
-
53
-
-
42449093521
-
-
-1 higher in energy for 43 ligands, with a total of 69 ligands favoring the free ligand conformation.
-
-1 higher in energy for 43 ligands, with a total of 69 ligands favoring the free ligand conformation.
-
-
-
-
54
-
-
0001577650
-
-
van der Veen, L. A.; Keeven, P. K.; Kamer, P. C. J.; van Leeuwen, P. W. N. M. Dalton Trans. 2000, 2105-2112.
-
(2000)
Dalton Trans
, pp. 2105-2112
-
-
van der Veen, L.A.1
Keeven, P.K.2
Kamer, P.C.J.3
van Leeuwen, P.W.N.M.4
-
56
-
-
0036864322
-
-
(a) Cundari, T. R.; Sârbu, C.; Pop, H. F. J. Chem. Inf. Comput. Sci. 2002, 42 (6), 1363-1369.
-
(2002)
J. Chem. Inf. Comput. Sci
, vol.42
, Issue.6
, pp. 1363-1369
-
-
Cundari, T.R.1
Sârbu, C.2
Pop, H.F.3
-
59
-
-
1642380461
-
-
Adding more variables into a model will generally improve performance as measured by the regression coefficient, but models with fewer variables are usually preferable, as less noise will be introduced. See Hawkins, D. M. J. Chem. Inf. Compta. Sci. 2004, 44, 1-12
-
Adding more variables into a model will generally improve performance as measured by the regression coefficient, but models with fewer variables are usually preferable, as less noise will be introduced. See Hawkins, D. M. J. Chem. Inf. Compta. Sci. 2004, 44, 1-12.
-
-
-
-
60
-
-
0037361983
-
-
(a) Hawkins, D. M.; Basak, S. C.; Mills, D. J. Chem. Inf. Comput. Sci. 2003, 43, 579.
-
(2003)
J. Chem. Inf. Comput. Sci
, vol.43
, pp. 579
-
-
Hawkins, D.M.1
Basak, S.C.2
Mills, D.3
-
62
-
-
0003684449
-
-
Hall: New York
-
(c) Hastie, T.; Tibshirani, R.; Friedman, J. The Elements of Statistical Learning; Data Mining, Inference, and Prediction; Chapman & Hall: New York, 2001.
-
(2001)
The Elements of Statistical Learning; Data Mining, Inference, and Prediction; Chapman &
-
-
Hastie, T.1
Tibshirani, R.2
Friedman, J.3
-
63
-
-
21144474350
-
-
(d) Shao, J. J. Am. Stat Assoc. 1993, 88 (422), 486-494.
-
(1993)
J. Am. Stat Assoc
, vol.88
, Issue.422
, pp. 486-494
-
-
Shao, J.1
-
64
-
-
0030537683
-
-
(e) Shao, J. J. Am. Stat. Assoc. 1996, 91 (434), 655-665.
-
(1996)
J. Am. Stat. Assoc
, vol.91
, Issue.434
, pp. 655-665
-
-
Shao, J.1
-
67
-
-
42449130344
-
-
Schrödinger, L. Jaguar, 6.0; Schrödinger, LLC: New York, 2005.
-
Schrödinger, L. Jaguar, 6.0; Schrödinger, LLC: New York, 2005.
-
-
-
-
73
-
-
0003915529
-
-
Theoretical Chemistry Institute, University of Wisconsin: Madison
-
Glendening, E. D.; Badenhoop, J. K.; Reed, A. E.; Carpenter, J. E.; Bohmann, J. A.; Morales, C. M.; Weinhold, F. NBO 5.0; Theoretical Chemistry Institute, University of Wisconsin: Madison, 2001.
-
(2001)
NBO 5.0
-
-
Glendening, E.D.1
Badenhoop, J.K.2
Reed, A.E.3
Carpenter, J.E.4
Bohmann, J.A.5
Morales, C.M.6
Weinhold, F.7
-
74
-
-
0343938742
-
-
Serena Software: Bloomington, IN
-
Gilbert, K. PCModel; Serena Software: Bloomington, IN, 2004.
-
(2004)
PCModel
-
-
Gilbert, K.1
-
75
-
-
42449115103
-
-
SPSS for Windows, Release 14.0; SPSS Inc, Chicago, IL, 2006
-
SPSS for Windows, Release 14.0; SPSS Inc.: Chicago, IL, 2006.
-
-
-
-
76
-
-
42449087094
-
-
Insightful Corporation: Seattle, WA
-
S-PLUS, 7.0; Insightful Corporation: Seattle, WA, 2005.
-
(2005)
S-PLUS, 7.0
-
-
|