-
1
-
-
63149140829
-
-
Neese, F.; Wennmohs, F.; Hansen, A. J. Chem. Phys. 2009, 130, 114108-18
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 114108-18
-
-
Neese, F.1
Wennmohs, F.2
Hansen, A.3
-
7
-
-
59349095039
-
-
Höfener, S.; Tew, D. P.; Klopper, W.; Helgaker, T. Chem. Phys. 2009, 356, 25-30
-
(2009)
Chem. Phys.
, vol.356
, pp. 25-30
-
-
Höfener, S.1
Tew, D.P.2
Klopper, W.3
Helgaker, T.4
-
8
-
-
0034602040
-
-
Reetz, M. T.; Mehler, G. Angew. Chem., Int. Ed. 2000, 39, 3889-3890
-
(2000)
Angew. Chem., Int. Ed.
, vol.39
, pp. 3889-3890
-
-
Reetz, M.T.1
Mehler, G.2
-
10
-
-
0034616815
-
-
Claver, C.; Fernandez, E.; Gillon, A.; Heslop, K.; Hyett, D. J.; Martorell, A.; Orpen, A. G.; Pringle, P. G. Chem. Commun. 2000, 961-962
-
(2000)
Chem. Commun.
, pp. 961-962
-
-
Claver, C.1
Fernandez, E.2
Gillon, A.3
Heslop, K.4
Hyett, D.J.5
Martorell, A.6
Orpen, A.G.7
Pringle, P.G.8
-
11
-
-
0034703724
-
-
Van den Berg, M.; Minnaard, A. J.; Schudde, E. P.; van Esch, J.; de Vries, A. H. M.; Feringa, B. L. J. Am. Chem. Soc. 2000, 122, 11539-11540
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 11539-11540
-
-
Van Den Berg, M.1
Minnaard, A.J.2
Schudde, E.P.3
Van Esch, J.4
De Vries, A.H.M.5
Feringa, B.L.6
-
12
-
-
84891011808
-
Mechanism of Enantioselective Hydrogenation. in
-
de Vries, J. G.; Elsevier, C. J., Ed. Wiley-VCH: Weinheim, Germany
-
Brown, J. M. Mechanism of Enantioselective Hydrogenation. In The Handbook of Homogeneous Hydrogenation; de Vries, J. G.; Elsevier, C. J., Ed.; Wiley-VCH: Weinheim, Germany, 2007; p 1073.
-
(2007)
The Handbook of Homogeneous Hydrogenation
, pp. 1073
-
-
Brown, J.M.1
-
13
-
-
22944445223
-
-
Reetz, M. T.; Meiswinkel, A.; Mehler, G.; Angermund, K.; Graf, M.; Thiel, W.; Mynott, R.; Blackmond, D. G. J. Am. Chem. Soc. 2005, 127, 10305-10313
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 10305-10313
-
-
Reetz, M.T.1
Meiswinkel, A.2
Mehler, G.3
Angermund, K.4
Graf, M.5
Thiel, W.6
Mynott, R.7
Blackmond, D.G.8
-
18
-
-
22944484208
-
-
Eichkorn, K.; Treutler, O.; Öhm, H.; Häser, M.; Ahlrichs, R. Chem. Phys. Lett. 1995, 240, 283-289
-
(1995)
Chem. Phys. Lett.
, vol.240
, pp. 283-289
-
-
Eichkorn, K.1
Treutler, O.2
Öhm, H.3
Häser, M.4
Ahlrichs, R.5
-
19
-
-
22944484208
-
-
Eichkorn, K.; Treutler, O.; Öhm, H.; Häser, M.; Ahlrichs, R. Chem. Phys. Lett. 1995, 240, 283-289
-
(1995)
Chem. Phys. Lett.
, vol.240
, pp. 283-289
-
-
Eichkorn, K.1
Treutler, O.2
Öhm, H.3
Häser, M.4
Ahlrichs, R.5
-
20
-
-
3743098842
-
-
Eichkorn, K.; Treutler, O.; Öhm, H.; Häser, M.; Ahlrichs, R. Chem. Phys. Lett. 1995, 242, 652-660
-
(1995)
Chem. Phys. Lett.
, vol.242
, pp. 652-660
-
-
Eichkorn, K.1
Treutler, O.2
Öhm, H.3
Häser, M.4
Ahlrichs, R.5
-
21
-
-
70350415342
-
-
V5.71; University of Karlsruhe and Forschungszentrum Karlsruhe GmbH: Karlsruhe, Germany,. Available from (accessed Sep 2010)
-
TURBOMOLE, V5.71; University of Karlsruhe and Forschungszentrum Karlsruhe GmbH: Karlsruhe, Germany, 2009. Available from http://www.turbomole.com (accessed Sep 2010).
-
(2009)
TURBOMOLE
-
-
-
22
-
-
11744322674
-
-
Andrae, D.; Häuβermann, U.; Dolg, M.; Stoll, H.; Preuβ, H. Theor. Chem. Acc. (Theor. Chim. Acta) 1990, 77, 123-141
-
(1990)
Theor. Chem. Acc. (Theor. Chim. Acta)
, vol.77
, pp. 123-141
-
-
Andrae, D.1
Häuermann, U.2
Dolg, M.3
Stoll, H.4
Preu, H.5
-
23
-
-
33645949559
-
-
Francl, M. M.; Pietro, W. J.; Hehre, W. J.; Binkley, J. S.; Gordon, M. S.; DeFrees, D. J.; Pople, J. A. J. Chem. Phys. 1982, 77, 3654-3665
-
(1982)
J. Chem. Phys.
, vol.77
, pp. 3654-3665
-
-
Francl, M.M.1
Pietro, W.J.2
Hehre, W.J.3
Binkley, J.S.4
Gordon, M.S.5
Defrees, D.J.6
Pople, J.A.7
-
24
-
-
0242391123
-
-
Sherwood, P.; de Vries, A. H.; Guest, M. F.; Schreckenbach, G.; Catlow, C. R. A.; French, S. A.; Sokol, A. A.; Bromley, S. T.; Thiel, W.; Turner, A. J.; Billeter, S.; Terstegen, F.; Thiel, S.; Kendrick, J.; Rogers, S. C.; Casci, J.; Watson, M.; King, F.; Karlsen, E.; Sjøvoll, M.; Fahmi, A.; Schäfer, A.; Lennartz, C. THEOCHEM 2003, 632, 1-28
-
(2003)
THEOCHEM
, vol.632
, pp. 1-28
-
-
Sherwood, P.1
De Vries, A.H.2
Guest, M.F.3
Schreckenbach, G.4
Catlow, C.R.A.5
French, S.A.6
Sokol, A.A.7
Bromley, S.T.8
Thiel, W.9
Turner, A.J.10
Billeter, S.11
Terstegen, F.12
Thiel, S.13
Kendrick, J.14
Rogers, S.C.15
Casci, J.16
Watson, M.17
King, F.18
Karlsen, E.19
Sjøvoll, M.20
Fahmi, A.21
Schäfer, A.22
Lennartz, C.23
more..
-
25
-
-
77957965650
-
-
(accessed Sep 2010)
-
See http://www.chemshell.org (accessed Sep 2010).
-
-
-
-
26
-
-
70549104970
-
-
version 2.7; University of Bonn: Bonn, Germany,. (accessed Aug 28, 2010)
-
Neese, F. ORCA, version 2.7; University of Bonn: Bonn, Germany, 2010. http://www.thch.uni-bonn.de/tc/orca (accessed Aug 28, 2010).
-
(2010)
ORCA
-
-
Neese, F.1
-
28
-
-
56749129924
-
-
Pantazis, D. A.; Chen, X.; Landis, C. R.; Neese, F. J. Chem. Theory Comput. 2008, 4, 908-919
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 908-919
-
-
Pantazis, D.A.1
Chen, X.2
Landis, C.R.3
Neese, F.4
-
29
-
-
26344435738
-
-
Schäfer, A.; Horn, H.; Ahlrichs, R. J. Chem. Phys. 1992, 97, 2571-2577
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 2571-2577
-
-
Schäfer, A.1
Horn, H.2
Ahlrichs, R.3
-
32
-
-
59349105675
-
-
Neese, F.; Wennmohs, F.; Hansen, A.; Becker, U. Chem. Phys. 2009, 356, 98-109
-
(2009)
Chem. Phys.
, vol.356
, pp. 98-109
-
-
Neese, F.1
Wennmohs, F.2
Hansen, A.3
Becker, U.4
-
36
-
-
56349164718
-
-
Zhong, S. J.; Barnes, E. C.; Petersson, G. A. J. Chem. Phys. 2008, 129, 184116
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 184116
-
-
Zhong, S.J.1
Barnes, E.C.2
Petersson, G.A.3
-
37
-
-
77957951097
-
-
Unpublished results
-
Neese, F. Unpublished results.
-
-
-
Neese, F.1
-
39
-
-
66149156443
-
-
Neese, F.; Hansen, A.; Wennmohs, F.; Grimme, S. Acc. Chem. Res. 2009, 42, 641-648
-
(2009)
Acc. Chem. Res.
, vol.42
, pp. 641-648
-
-
Neese, F.1
Hansen, A.2
Wennmohs, F.3
Grimme, S.4
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