-
2
-
-
0012311763
-
-
Carpenter, B. K. J. Am. Chem. Soc. 1995, 117, 6336. Reyes, M. B.; Carpenter, B. K. J. Am. Chem. Soc. 2000, 122, 10163. Reyes, M. B.; Lobkovsky, E. B.; Carpenter, B. K. J. Am. Chem. Soc. 2002, 124, 641. Carpenter, B. K. J. Am. Chem. Soc. 1996, 118, 10329.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 6336
-
-
Carpenter, B.K.1
-
3
-
-
0034684264
-
-
Carpenter, B. K. J. Am. Chem. Soc. 1995, 117, 6336. Reyes, M. B.; Carpenter, B. K. J. Am. Chem. Soc. 2000, 122, 10163. Reyes, M. B.; Lobkovsky, E. B.; Carpenter, B. K. J. Am. Chem. Soc. 2002, 124, 641. Carpenter, B. K. J. Am. Chem. Soc. 1996, 118, 10329.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 10163
-
-
Reyes, M.B.1
Carpenter, B.K.2
-
4
-
-
0037196290
-
-
Carpenter, B. K. J. Am. Chem. Soc. 1995, 117, 6336. Reyes, M. B.; Carpenter, B. K. J. Am. Chem. Soc. 2000, 122, 10163. Reyes, M. B.; Lobkovsky, E. B.; Carpenter, B. K. J. Am. Chem. Soc. 2002, 124, 641. Carpenter, B. K. J. Am. Chem. Soc. 1996, 118, 10329.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 641
-
-
Reyes, M.B.1
Lobkovsky, E.B.2
Carpenter, B.K.3
-
5
-
-
0029905871
-
-
Carpenter, B. K. J. Am. Chem. Soc. 1995, 117, 6336. Reyes, M. B.; Carpenter, B. K. J. Am. Chem. Soc. 2000, 122, 10163. Reyes, M. B.; Lobkovsky, E. B.; Carpenter, B. K. J. Am. Chem. Soc. 2002, 124, 641. Carpenter, B. K. J. Am. Chem. Soc. 1996, 118, 10329.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 10329
-
-
Carpenter, B.K.1
-
6
-
-
0000248299
-
-
(a) Yamataka, H.; Aida, M.; Dupuis, M. Chem. Phys. Lett. 1999, 300, 583.
-
(1999)
Chem. Phys. Lett.
, vol.300
, pp. 583
-
-
Yamataka, H.1
Aida, M.2
Dupuis, M.3
-
7
-
-
0035835073
-
-
(b) Bakken, V.; Danovich, D.; Shaik, S.; Schlegel, H. B. J. Am. Chem. Soc. 2001, 123, 130.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 130
-
-
Bakken, V.1
Danovich, D.2
Shaik, S.3
Schlegel, H.B.4
-
8
-
-
0001465311
-
-
(a) Doubleday, C., Jr.; Bolton, K.; Hase, W. L. J. Am. Chem. Soc. 1997, 119, 5251.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 5251
-
-
Doubleday C., Jr.1
Bolton, K.2
Hase, W.L.3
-
9
-
-
0033583717
-
-
(b) Doubleday, C.; Nendel, M.; Houk, K. N.; Thweatt, D.; Page, M. J. Am. Chem. Soc. 1999, 121, 4720.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 4720
-
-
Doubleday, C.1
Nendel, M.2
Houk, K.N.3
Thweatt, D.4
Page, M.5
-
11
-
-
0347482791
-
-
(d) Doubleday, C., Jr.; Bolton, K.; Hase, W. L. J. Phys. Chem. A 1998, 102, 3648.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 3648
-
-
Doubleday C., Jr.1
Bolton, K.2
Hase, W.L.3
-
12
-
-
0001615126
-
-
(a) Grdina, B.; Orfanopoulos, M.; Stephenson, L. M. J. Am. Chem. Soc. 1979, 101, 3111.
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 3111
-
-
Grdina, B.1
Orfanopoulos, M.2
Stephenson, L.M.3
-
13
-
-
0025039621
-
-
(b) Orfanopoulos, M.; Smonou, I.; Foote, C. S. J. Am. Chem. Soc. 1990, 112, 3607.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 3607
-
-
Orfanopoulos, M.1
Smonou, I.2
Foote, C.S.3
-
15
-
-
0037419851
-
-
Singleton, D. A.; Hang, C.; Szymanski, M. J.; Meyer, M. P.; Leach, A. G.; Kuwata, K. T.; Chen, J. S.; Greer, A.; Foote, C. S.; Houk, K. N. J. Am. Chem. Soc. 2003, 125, 1319.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 1319
-
-
Singleton, D.A.1
Hang, C.2
Szymanski, M.J.3
Meyer, M.P.4
Leach, A.G.5
Kuwata, K.T.6
Chen, J.S.7
Greer, A.8
Foote, C.S.9
Houk, K.N.10
-
17
-
-
0000050815
-
-
(a) Metiu, H.; Ross, J.; Silbey, R.; George, T. F. J. Chem. Phys. 1974, 61, 3200.
-
(1974)
J. Chem. Phys.
, vol.61
, pp. 3200
-
-
Metiu, H.1
Ross, J.2
Silbey, R.3
George, T.F.4
-
18
-
-
0001631394
-
-
(b) Tachibana, A.; Okazaki, I.; Koizumi, M.; Hori, K.; Yamabe, T. J. Am. Chem. Soc. 1985, 107, 1190.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 1190
-
-
Tachibana, A.1
Okazaki, I.2
Koizumi, M.3
Hori, K.4
Yamabe, T.5
-
19
-
-
0000110163
-
-
(c) Valtazanos, P.; Elbert, S. T.; Ruedenberg, K. J. Am. Chem. Soc. 1986, 108, 3147.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 3147
-
-
Valtazanos, P.1
Elbert, S.T.2
Ruedenberg, K.3
-
20
-
-
0346028025
-
-
(d) Windus, T. L.; Gordon, M. S.; Burggraf, L. W.; Davis, L. P. J. Am. Chem. Soc. 1991, 113, 4356.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 4356
-
-
Windus, T.L.1
Gordon, M.S.2
Burggraf, L.W.3
Davis, L.P.4
-
22
-
-
0000710070
-
-
Ramquet, M.-N.; Dive, G.; Dehareng, D. J. Chem. Phys. 2000, 112, 4923.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 4923
-
-
Ramquet, M.-N.1
Dive, G.2
Dehareng, D.3
-
23
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0013020935
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note
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1 by 0.1 Å was 0.019 kcal/mol.
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25
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0012934284
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note
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2 distances exceeded 2.2 Å, the runs were discarded.
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27
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0012930476
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note
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(b) Based on average C-H stretching amplitudes, the high-energy C-H stretching modes lose 20-30% of their energy to other modes slowly over the course of 700 fs. Most of the dynamics runs "commit" to formation of a particular product within the first 100 fs, suggesting that the impact of vibrational energy redistribution is minimal.
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29
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0013018874
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note
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We note that one would also have expected significant selectivity from a surface involving a perepoxide intermediate. Starting from the perepoxide minimum on the RHF/6-31G* surface, the transition state leading to 6 is favored by 0.7 kcal/mol over the transition state leading to 5 at the CCSD-/6-31G*//RHF/6-31G* level.
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(a) Bakken, V.; Danovich, D.; Shaik, S.; Schlegel, H. B. J. Am. Chem. Soc. 2001, 123, 130.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 130
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-
Bakken, V.1
Danovich, D.2
Shaik, S.3
Schlegel, H.B.4
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(b) Yamataka, H.; Aida, M.; Dupuis, M. Chem. Phys. Lett. 1999, 300, 583.
-
(1999)
Chem. Phys. Lett.
, vol.300
, pp. 583
-
-
Yamataka, H.1
Aida, M.2
Dupuis, M.3
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