-
2
-
-
0001909088
-
-
Takahashi, S.; Shibano, T.; Hagihara, N. Tetrahedron Lett. 1967, 8, 2451
-
(1967)
Tetrahedron Lett.
, vol.8
, pp. 2451
-
-
Takahashi, S.1
Shibano, T.2
Hagihara, N.3
-
3
-
-
70349784946
-
-
For a recent general review of Pd-catalyzed butadiene telomerization see
-
For a recent general review of Pd-catalyzed butadiene telomerization see: Behr, A.; Becker, M.; Beckmann, T.; Johnen, L.; Leschinski, J.; Reyer, S. Angew. Chem., Int. Ed. 2009, 48, 3598
-
(2009)
Angew. Chem., Int. Ed.
, vol.48
, pp. 3598
-
-
Behr, A.1
Becker, M.2
Beckmann, T.3
Johnen, L.4
Leschinski, J.5
Reyer, S.6
-
4
-
-
78651112682
-
-
See references in the recent review cited above, and for a few very recent examples, see
-
See references in the recent review cited above, and for a few very recent examples, see: Mesnager, J.; Lambin, A.; Quettier, C.; Rataboul, F.; Pinel, C. Top. Catal. 2010, 15, 1282
-
(2010)
Top. Catal.
, vol.15
, pp. 1282
-
-
Mesnager, J.1
Lambin, A.2
Quettier, C.3
Rataboul, F.4
Pinel, C.5
-
5
-
-
60549095494
-
-
Behr, A.; Leschinski, J.; Awungacha, C.; Simic, S.; Knoth, T. CHEMSUSCHEM 2009, 1, 71
-
(2009)
CHEMSUSCHEM
, vol.1
, pp. 71
-
-
Behr, A.1
Leschinski, J.2
Awungacha, C.3
Simic, S.4
Knoth, T.5
-
6
-
-
79952933464
-
-
Behr, A.; Johnen, L.; Vorholt, A. J. CHEMCATCHEM 2010, 10, 1271
-
(2010)
CHEMCATCHEM
, vol.10
, pp. 1271
-
-
Behr, A.1
Johnen, L.2
Vorholt, A.J.3
-
7
-
-
79952982486
-
-
Patent WO 92/10450 (DOW Benelux)
-
Bohley, R. C.; Jacobsen, G. B.; Pelt, H. L.; Schaart, B. J.; Schenk, M.; van Oeffelen, D. A. G. Patent WO 92/10450 (DOW Benelux), 1992.
-
(1992)
-
-
Bohley, R.C.1
Jacobsen, G.B.2
Pelt, H.L.3
Schaart, B.J.4
Schenk, M.5
Van Oeffelen, D.A.G.6
-
9
-
-
0000709185
-
-
Benn, R.; Jolly, P.; Mynott, R.; Raspel, B.; Schenker, G.; Schick, K.; Schroth, G. Organometallics 1985, 4, 1945
-
(1985)
Organometallics
, vol.4
, pp. 1945
-
-
Benn, R.1
Jolly, P.2
Mynott, R.3
Raspel, B.4
Schenker, G.5
Schick, K.6
Schroth, G.7
-
10
-
-
0000810820
-
-
Jolly, P.; Mynott, R.; Raspel, B.; Schick, K. Organometallics 1986, 5, 473
-
(1986)
Organometallics
, vol.5
, pp. 473
-
-
Jolly, P.1
Mynott, R.2
Raspel, B.3
Schick, K.4
-
11
-
-
0343193157
-
-
Vollmuller, F.; Krause, J.; Klein, S.; Magerlein, W.; Beller, M. Eur. J. Inorg. Chem. 2000, 1825
-
(2000)
Eur. J. Inorg. Chem.
, pp. 1825
-
-
Vollmuller, F.1
Krause, J.2
Klein, S.3
Magerlein, W.4
Beller, M.5
-
12
-
-
77951245825
-
-
Huo, C. F.; Jackstell, R.; Beller, M.; Jiao, H. J. Mol. Model. 2010, 16, 431
-
(2010)
J. Mol. Model.
, vol.16
, pp. 431
-
-
Huo, C.F.1
Jackstell, R.2
Beller, M.3
Jiao, H.4
-
13
-
-
55549096037
-
-
Examples of mechanistic studies of the reactivity of cationic allyl-Pd fragments with nucleophiles, with solvent effects
-
Examples of mechanistic studies of the reactivity of cationic allyl-Pd fragments with nucleophiles, with solvent effects: Evans, L. A.; Fey, N.; Harvey, J. N.; Hose, D.; Lloyd-Jones, G. C.; Murray, P.; Orpen, A. G.; Osborne, R.; Owen-Smith, G. J. J.; Purdie, M. J. Am. Chem. Soc. 2008, 130, 14471
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 14471
-
-
Evans, L.A.1
Fey, N.2
Harvey, J.N.3
Hose, D.4
Lloyd-Jones, G.C.5
Murray, P.6
Orpen, A.G.7
Osborne, R.8
Owen-Smith, G.J.J.9
Purdie, M.10
-
14
-
-
0033083563
-
-
Kuhn, O.; Mayr, H. Angew. Chem., Int. Ed. 1999, 38, 343
-
(1999)
Angew. Chem., Int. Ed.
, vol.38
, pp. 343
-
-
Kuhn, O.1
Mayr, H.2
-
15
-
-
16244422036
-
-
Amatore, C.; Bahsoun, A. A.; Jutand, A.; Mensah, L.; Meyer, G.; Ricard, L. Organometallics 2005, 24, 1569
-
(2005)
Organometallics
, vol.24
, pp. 1569
-
-
Amatore, C.1
Bahsoun, A.A.2
Jutand, A.3
Mensah, L.4
Meyer, G.5
Ricard, L.6
-
16
-
-
34247474889
-
-
Amatore, C.; Genin, E.; Jutand, A.; Mensah, L. Organometallics 2007, 26, 1875
-
(2007)
Organometallics
, vol.26
, pp. 1875
-
-
Amatore, C.1
Genin, E.2
Jutand, A.3
Mensah, L.4
-
17
-
-
52649110618
-
-
Basset, J. M.; Bouchu, D.; Godard, G.; Kuntz, E.; Lefebvre, F.; Legagneux, N.; Lucas, C.; Michelet, D. Organometallics 2008, 27, 4300
-
(2008)
Organometallics
, vol.27
, pp. 4300
-
-
Basset, J.M.1
Bouchu, D.2
Godard, G.3
Kuntz, E.4
Lefebvre, F.5
Legagneux, N.6
Lucas, C.7
Michelet, D.8
-
18
-
-
76149098216
-
-
Kuntz, E.; Basset, J. M.; Bouchu, D,; Godard, G.; Lefebvre, F.; Legagneux, N.; Lucas, C.; Michelet, D. Organometallics 2010, 29, 523
-
(2010)
Organometallics
, vol.29
, pp. 523
-
-
Kuntz, E.1
Basset, J.M.2
Bouchu, D.3
Godard, G.4
Lefebvre, F.5
Legagneux, N.6
Lucas, C.7
Michelet, D.8
-
21
-
-
79952958793
-
-
Book of abstracts, 210th ACS National Meeting, Chicago, August 20-24, COMP-077
-
Hehre, W. J.; Yu, J. Book of abstracts, 210th ACS National Meeting, Chicago, August 20-24, 1995, COMP-077.
-
(1995)
-
-
Hehre, W.J.1
Yu, J.2
-
22
-
-
79952983701
-
-
Book of abstracts, 211th ACS National Meeting, New Orleans, March 24-28, PMSE-216
-
Hehre, W. J.; Yu, J. Book of abstracts, 211th ACS National Meeting, New Orleans, March 24-28, 1996, PMSE-216.
-
(1996)
-
-
Hehre, W.J.1
Yu, J.2
-
23
-
-
79952965697
-
-
Book of abstracts, 212th ACS National Meeting, Orlando, August 25-29, COMP-220
-
Hehre, W. J.; Yu, J.; Adei, E. Book of abstracts, 212th ACS National Meeting, Orlando, August 25-29, 1996, COMP-220.
-
(1996)
-
-
Hehre, W.J.1
Yu, J.2
Adei, E.3
-
24
-
-
36849028500
-
-
Wavefunction, Inc.: Irvine, CA
-
Spartan'06; Wavefunction, Inc.: Irvine, CA; http://www.wavefun.com.
-
Spartan'06
-
-
-
25
-
-
0041006449
-
-
Version 5; Theoretical Chemistry Group, University of Karlsruhe
-
Ahlrichs, R.; Bär, M.; Baron, H.-P.; Bauernschmitt, R.; Böcker, S.; Ehrig, M.; Eichkorn, K.; Elliott, S.; Furche, F.; Haase, F.; Häser, M.; Hättig, C.; Horn, H.; Huber, C.; Huniar, U.; Kattannek, M.; Köhn, A.; Kölmel, C.; Kollwitz, M.; May, K.; Ochsenfeld, C.; Ohm, H.; Schäfer, A.; Schneider, U.; Treutler, O.; Tsereteli, K.; Unterreiner, B.; Von Arnim, M.; Weigend, F.; Weis, P.; Weiss, H. Turbomole Version 5; Theoretical Chemistry Group, University of Karlsruhe, 2002.
-
(2002)
Turbomole
-
-
Ahlrichs, R.1
Bär, M.2
Baron, H.-P.3
Bauernschmitt, R.4
Böcker, S.5
Ehrig, M.6
Eichkorn, K.7
Elliott, S.8
Furche, F.9
Haase, F.10
Häser, M.11
Hättig, C.12
Horn, H.13
Huber, C.14
Huniar, U.15
Kattannek, M.16
Köhn, A.17
Kölmel, C.18
Kollwitz, M.19
May, K.20
Ochsenfeld, C.21
Ohm, H.22
Schäfer, A.23
Schneider, U.24
Treutler, O.25
Tsereteli, K.26
Unterreiner, B.27
Von Arnim, M.28
Weigend, F.29
Weis, P.30
Weiss, H.31
more..
-
27
-
-
79952958485
-
-
PQS version 2.4; Parallel Quantum Solutions: Fayetteville, AR, (the Baker optimizer is available separately from PQS upon request)
-
PQS version 2.4; Parallel Quantum Solutions: Fayetteville, AR, 2001, (the Baker optimizer is available separately from PQS upon request).
-
(2001)
-
-
-
29
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
32
-
-
79952917378
-
-
All Turbomole calculations were performed using the Turbomole functional "b3-lyp", which is close but not identical to the Gaussian "B3LYP" functional; it uses VWN(V) instead of VWN(III) for the correlation part of the functional
-
All Turbomole calculations were performed using the Turbomole functional "b3-lyp", which is close but not identical to the Gaussian "B3LYP" functional; it uses VWN(V) instead of VWN(III) for the correlation part of the functional
-
-
-
-
33
-
-
0000216001
-
-
Vosko, S.; Wilk, L.; Nussair, M. Can. J. Phys. 1980, 58, 1200
-
(1980)
Can. J. Phys.
, vol.58
, pp. 1200
-
-
Vosko, S.1
Wilk, L.2
Nussair, M.3
-
34
-
-
0000843605
-
-
Ahlrichs, R.; Furche, F.; Grimme., S. Chem. Phys. Lett. 2000, 325, 317
-
(2000)
Chem. Phys. Lett.
, vol.325
, pp. 317
-
-
Ahlrichs, R.1
Furche, F.2
Grimme, S.3
-
35
-
-
0039209924
-
-
TZVP
-
TZVP: Schäfer, A.; Huber, C.; Ahlrichs, R. J. Chem. Phys. 1994, 100, 5829
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 5829
-
-
Schäfer, A.1
Huber, C.2
Ahlrichs, R.3
-
36
-
-
11744322674
-
-
Andrae, D.; Häussermann, U.; Dolg, M.; Stoll, H.; Preuss, H. Theor. Chim. Acta 1990, 77, 123
-
(1990)
Theor. Chim. Acta
, vol.77
, pp. 123
-
-
Andrae, D.1
Häussermann, U.2
Dolg, M.3
Stoll, H.4
Preuss, H.5
-
37
-
-
79952955166
-
-
-1 to avoid artificial "blow-up" of the entropic correction for very low frequencies, for which the harmonic oscillator model is no longer appropriate
-
-1 to avoid artificial "blow-up" of the entropic correction for very low frequencies, for which the harmonic oscillator model is no longer appropriate.
-
-
-
-
39
-
-
70349316840
-
-
Raucoules, R.; De Bruin, T.; Raybaud, P.; Adamo, C. Organometallics 2009, 28, 5358
-
(2009)
Organometallics
, vol.28
, pp. 5358
-
-
Raucoules, R.1
De Bruin, T.2
Raybaud, P.3
Adamo, C.4
-
40
-
-
0942268401
-
-
Weigend, F.; Furche, F.; Ahlrichs, R. J. Chem. Phys. 2003, 119, 12753
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 12753
-
-
Weigend, F.1
Furche, F.2
Ahlrichs, R.3
-
41
-
-
0000519157
-
-
Klamt, A.; Schürmann, G. J. Chem. Soc., Perkin Trans. 2 1993, 5, 799
-
(1993)
J. Chem. Soc., Perkin Trans. 2
, vol.5
, pp. 799
-
-
Klamt, A.1
Schürmann, G.2
-
42
-
-
0033610479
-
-
Krause, J.; Cestaric, G.; Haach, K.-J.; Seevogel, K.; Storm, W.; Pörschke, K.-R. J. Am. Chem. Soc. 1999, 121, 9807
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 9807
-
-
Krause, J.1
Cestaric, G.2
Haach, K.-J.3
Seevogel, K.4
Storm, W.5
Pörschke, K.-R.6
-
43
-
-
77952014195
-
-
Tschan, M. J. L.; Garcia-Suarez, E. J.; Freixa, Z.; Launay, H.; Hagen, H.; Benet-Buchholz, J.; van Leeuwen, P. W. N. M. J. Am. Chem. Soc. 2010, 132, 6463
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 6463
-
-
Tschan, M.J.L.1
Garcia-Suarez, E.J.2
Freixa, Z.3
Launay, H.4
Hagen, H.5
Benet-Buchholz, J.6
Van Leeuwen, P.W.N.M.7
-
44
-
-
28444441533
-
-
Blanco, B.; Brissart, M.; Moreno-Manas, M.; Pleixats, R.; Mehdi, A.; Reye, C.; Bouquillon, S.; Henin, F.; Muzart, J. Appl. Catal., A 2006, 297, 117
-
(2006)
Appl. Catal., A
, vol.297
, pp. 117
-
-
Blanco, B.1
Brissart, M.2
Moreno-Manas, M.3
Pleixats, R.4
Mehdi, A.5
Reye, C.6
Bouquillon, S.7
Henin, F.8
Muzart, J.9
-
45
-
-
0037087570
-
-
Jackstell, R.; Andreu, M.; Frisch, A.; Selvakumar, K.; Zapf, A.; Klein, H.; Spannenberg, A.; Rottger, D.; Briel, O.; Karch, R.; Beller, M. Angew. Chem. Int. Ed. 2002, 41, 986
-
(2002)
Angew. Chem. Int. Ed.
, vol.41
, pp. 986
-
-
Jackstell, R.1
Andreu, M.2
Frisch, A.3
Selvakumar, K.4
Zapf, A.5
Klein, H.6
Spannenberg, A.7
Rottger, D.8
Briel, O.9
Karch, R.10
Beller, M.11
-
46
-
-
0037416706
-
-
For a recent mechanistic study
-
For a recent mechanistic study: Tobish, S. Chem.-Eur. J. 2003, 9, 1217
-
(2003)
Chem.-Eur. J.
, vol.9
, pp. 1217
-
-
Tobish, S.1
-
47
-
-
78349233892
-
-
Hausoul, P. J. C.; Parvulescu, A. N.; Lutz, M.; Spek, A. L.; Bruijnincx, P. C. A.; Weckhuysen, B. M.; Gebbink, R. J. M. K. Angew. Chem., Int. Ed. 2010, 49, 7972
-
(2010)
Angew. Chem., Int. Ed.
, vol.49
, pp. 7972
-
-
Hausoul, P.J.C.1
Parvulescu, A.N.2
Lutz, M.3
Spek, A.L.4
Bruijnincx, P.C.A.5
Weckhuysen, B.M.6
Gebbink, R.J.M.K.7
-
48
-
-
14844350547
-
-
Harkal, S.; Jackstell, R.; Nierlich, F.; Ortmann, D.; Beller, M. Org. Lett. 2005, 7, 541
-
(2005)
Org. Lett.
, vol.7
, pp. 541
-
-
Harkal, S.1
Jackstell, R.2
Nierlich, F.3
Ortmann, D.4
Beller, M.5
-
49
-
-
53849110308
-
-
Clement, N. D.; Routaboul, L.; Grotevendt, A.; Jackstell, R.; Beller, M. Chem.-Eur. J. 2008, 14, 7408
-
(2008)
Chem.-Eur. J.
, vol.14
, pp. 7408
-
-
Clement, N.D.1
Routaboul, L.2
Grotevendt, A.3
Jackstell, R.4
Beller, M.5
|