-
1
-
-
34447279649
-
-
For recent contributions, see: a
-
For recent contributions, see: (a) Schreiner, P. R. Angew. Chem., Int. Ed. 2007, 46, 4217.
-
(2007)
Angew. Chem., Int. Ed
, vol.46
, pp. 4217
-
-
Schreiner, P.R.1
-
2
-
-
34249301333
-
-
(b) Wodrich, M. D.; Corminboeuf, C.; Schreiner, P. R.; Fokin, A. A.; Schleyer, P. v. R. Org. Lett. 2007, 9, 1851.
-
(2007)
Org. Lett
, vol.9
, pp. 1851
-
-
Wodrich, M.D.1
Corminboeuf, C.2
Schreiner, P.R.3
Fokin, A.A.4
Schleyer, P.V.R.5
-
3
-
-
33947237432
-
-
(c) Grimme, S.; Steinmetz, M.; Korth, M. J. Org. Chem. 2007, 72, 2118.
-
(2007)
J. Org. Chem
, vol.72
, pp. 2118
-
-
Grimme, S.1
Steinmetz, M.2
Korth, M.3
-
4
-
-
33947233977
-
-
(d) Grimme, S.; Steinmetz, M.; Korth, M. J. Chem. Theory Comput. 2007, 3, 42.
-
(2007)
J. Chem. Theory Comput
, vol.3
, pp. 42
-
-
Grimme, S.1
Steinmetz, M.2
Korth, M.3
-
5
-
-
33748588933
-
-
(e) Schreiner, P. R.; Fokin, A. A.; Pascal, R. A.; de Meijere, A. Org. Lett. 2006, 8, 3635.
-
(2006)
Org. Lett
, vol.8
, pp. 3635
-
-
Schreiner, P.R.1
Fokin, A.A.2
Pascal, R.A.3
de Meijere, A.4
-
6
-
-
33748591851
-
-
(f) Wodrich, M. D.; Corminboeuf, C.; Schleyer, P. v. R. Org. Lett. 2006, 8, 3631.
-
(2006)
Org. Lett
, vol.8
, pp. 3631
-
-
Wodrich, M.D.1
Corminboeuf, C.2
Schleyer, P.V.R.3
-
9
-
-
27344452533
-
-
(a) Zhao, Y.; Schultz, N. E.; Truhlar, D. G. J. Chem. Phys. 2005, 123, 161103.
-
(2005)
J. Chem. Phys
, vol.123
, pp. 161103
-
-
Zhao, Y.1
Schultz, N.E.2
Truhlar, D.G.3
-
10
-
-
33646464890
-
-
(b) Zhao, Y.; Schultz, N. E.; Truhlar, D. G. J. Chem. Theory Comput. 2006, 2, 364.
-
(2006)
J. Chem. Theory Comput
, vol.2
, pp. 364
-
-
Zhao, Y.1
Schultz, N.E.2
Truhlar, D.G.3
-
11
-
-
34447557776
-
-
in press, DOI 10.1007/s00214-007-0310-x
-
(c) Zhao, Y.; Truhla, D. G. Theor. Chem. Acc 2007, in press, DOI 10.1007/s00214-007-0310-x.
-
(2007)
Theor. Chem. Acc
-
-
Zhao, Y.1
Truhla, D.G.2
-
16
-
-
20344381993
-
-
(a) Feyereisen, M.; Fitzgerald, G.; Komornicki, A. Chem. Phys. Lett. 1993, 208, 359.
-
(1993)
Chem. Phys. Lett
, vol.208
, pp. 359
-
-
Feyereisen, M.1
Fitzgerald, G.2
Komornicki, A.3
-
20
-
-
33644928756
-
-
(b) Grimme, S.; Mück-Lichtenfeld, C.; Würthwein, E.-U.; Ehlers, A. W.; Goumans, T. P. M.; Lammertsma, K. J. Phys. Chem. A 2006, 110, 2583.
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 2583
-
-
Grimme, S.1
Mück-Lichtenfeld, C.2
Würthwein, E.-U.3
Ehlers, A.W.4
Goumans, T.P.M.5
Lammertsma, K.6
-
23
-
-
19544393388
-
-
(a) Vakulya, B.; Varga, S.; Csámpai, A.; Soós, T. Org. Lett. 2005, 7, 1967.
-
(2005)
Org. Lett
, vol.7
, pp. 1967
-
-
Vakulya, B.1
Varga, S.2
Csámpai, A.3
Soós, T.4
-
24
-
-
33746323982
-
-
(b) Inokuma, T.; Hoashi, Y.; Takemoto, Y. J. Am. Chem. Soc. 2006, 128, 9413.
-
(2006)
J. Am. Chem. Soc
, vol.128
, pp. 9413
-
-
Inokuma, T.1
Hoashi, Y.2
Takemoto, Y.3
-
25
-
-
33846601028
-
-
(c) Wang, B.; Wu, F.; Wang, Y.; Liu, X.; Deng, L. J. Am. Chem. Soc. 2007, 129, 768.
-
(2007)
J. Am. Chem. Soc
, vol.129
, pp. 768
-
-
Wang, B.1
Wu, F.2
Wang, Y.3
Liu, X.4
Deng, L.5
-
26
-
-
11844302258
-
-
(d) Okino, T.; Hoashi, Y.; Furukawa, T.; Xu, X.; Takemoto, Y. J. Am. Chem. Soc. 2005, 127, 119.
-
(2005)
J. Am. Chem. Soc
, vol.127
, pp. 119
-
-
Okino, T.1
Hoashi, Y.2
Furukawa, T.3
Xu, X.4
Takemoto, Y.5
-
27
-
-
27144522622
-
-
(e) Wang, J.; Li, H.; Duan, W.; Zu, L.; Wang, W. Org. Lett. 2005, 7, 4713.
-
(2005)
Org. Lett
, vol.7
, pp. 4713
-
-
Wang, J.1
Li, H.2
Duan, W.3
Zu, L.4
Wang, W.5
-
29
-
-
0345491105
-
-
(b) 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
-
30
-
-
33751157732
-
-
(c) Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623.
-
(1994)
J. Phys. Chem
, vol.98
, pp. 11623
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
31
-
-
0242593713
-
-
Tao, J.; Perdew, J. P.; Staroverov, V. N.; Scuseria, G. E. Phys. Rev. Lett. 2003, 97, 146401.
-
(2003)
Phys. Rev. Lett
, vol.97
, pp. 146401
-
-
Tao, J.1
Perdew, J.P.2
Staroverov, V.N.3
Scuseria, G.E.4
-
32
-
-
0347319419
-
-
Staroverov, V. N.; Scuseria, G. E.; Tao, J.; Perdew, J. P. J. Chem. Phys. 2003, 119, 12129.
-
(2003)
J. Chem. Phys
, vol.119
, pp. 12129
-
-
Staroverov, V.N.1
Scuseria, G.E.2
Tao, J.3
Perdew, J.P.4
-
33
-
-
0033731344
-
-
Lynch, B. J.; Fast, P. L.; Harris, M.; Truhlar, D. G. J. Phys. Chem. A 2000, 104, 4811.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 4811
-
-
Lynch, B.J.1
Fast, P.L.2
Harris, M.3
Truhlar, D.G.4
-
35
-
-
35548942837
-
-
Frisch, M. J. et al. Gaussian 03, revision B.05; Gaussian, Inc.: Wallingford, CT, 2004.
-
(a) Frisch, M. J. et al. Gaussian 03, revision B.05; Gaussian, Inc.: Wallingford, CT, 2004.
-
-
-
-
36
-
-
35548941550
-
-
Bylaska, E. J. et al. NWChem, A Computational Chemistry Package for Parallel Computers, version 5.0; Pacific Northwest National Laboratory: Richland, Washington, 2006
-
(b) Bylaska, E. J. et al. NWChem, A Computational Chemistry Package for Parallel Computers, version 5.0; Pacific Northwest National Laboratory: Richland, Washington, 2006.
-
-
-
-
37
-
-
35548956131
-
-
Ahlrichs, R, et al. TURBOMOLE, version 5.9.1; Universität Karlsruhe, 2007. Full references are given in Supporting Information
-
(c) Ahlrichs, R., et al. TURBOMOLE, version 5.9.1; Universität Karlsruhe, 2007. Full references are given in Supporting Information.
-
-
-
-
38
-
-
35548956584
-
-
For further details and references, see Supporting Information
-
For further details and references, see Supporting Information.
-
-
-
-
39
-
-
0000543185
-
-
Baboul, A. G.; Curtiss, L. A.; Redfern, P. C.; Raghavachari, K. J. Chem. Phys. 1999, 110, 7650.
-
(1999)
J. Chem. Phys
, vol.110
, pp. 7650
-
-
Baboul, A.G.1
Curtiss, L.A.2
Redfern, P.C.3
Raghavachari, K.4
-
40
-
-
0001470765
-
-
Godbout, N.; Salahub, D. R.; Andzelm, J.; Wimmer, E. Can. J. Chem. 1992, 70, 560.
-
(1992)
Can. J. Chem
, vol.70
, pp. 560
-
-
Godbout, N.1
Salahub, D.R.2
Andzelm, J.3
Wimmer, E.4
-
41
-
-
84962407641
-
-
For a selection of recent mechanistic DFT studies on organocatalytic reactions, see: a
-
For a selection of recent mechanistic DFT studies on organocatalytic reactions, see: (a) Yamanaka, M.; Itoh, J.; Fuchibe, K.; Akiyama, T. J. ' Am. Chem. Soc 2007, 129, 6756.
-
(2007)
J. ' Am. Chem. Soc
, vol.129
, pp. 6756
-
-
Yamanaka, M.1
Itoh, J.2
Fuchibe, K.3
Akiyama, T.4
-
43
-
-
33749527371
-
-
(c) Bertelsen, S.; Marigo, M.; Brandes, S.; Dinér, P.; Jørgensen, K. A. J. Am. Chem. Soc. 2006, 128, 12973.
-
(2006)
J. Am. Chem. Soc
, vol.128
, pp. 12973
-
-
Bertelsen, S.1
Marigo, M.2
Brandes, S.3
Dinér, P.4
Jørgensen, K.A.5
-
44
-
-
84962467066
-
-
(d) Hamza, A.; Schubert, G.; Soós, T.; Pápai, I. J. Am. Chem. Soc. 2006, 128, 13151.
-
(2006)
J. Am. Chem. Soc
, vol.128
, pp. 13151
-
-
Hamza, A.1
Schubert, G.2
Soós, T.3
Pápai, I.4
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