-
1
-
-
0040811177
-
-
Bard, A. J.; Whitesides, G. M.; Zare, R. N.; McLafferty, F. W. Acc. Chem. Res. 1995, 28, 92.
-
(1995)
Acc. Chem. Res.
, vol.28
, pp. 92
-
-
Bard, A.J.1
Whitesides, G.M.2
Zare, R.N.3
McLafferty, F.W.4
-
4
-
-
0003548222
-
-
VCH: Weinheim
-
Davies, J. A.; Watson, P. L.; Liebman, J. F.; Greenberg, A. Selective Hydrocarbon Activation, Principles and Progress; VCH: Weinheim, 1990.
-
(1990)
Selective Hydrocarbon Activation, Principles and Progress
-
-
Davies, J.A.1
Watson, P.L.2
Liebman, J.F.3
Greenberg, A.4
-
8
-
-
0033538281
-
-
Yoshizawa, K.; Suzuki, A.; Yamabe, T. J. Am. Chem. Soc. 1999, 121, 5266.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 5266
-
-
Yoshizawa, K.1
Suzuki, A.2
Yamabe, T.3
-
10
-
-
0004253735
-
-
Wiley-Interscience: New York
-
Olah, G. A.; Prakash, G. K. S.; Williams, R. E.; Field, L. D.; Wade, K. Hypercarbon Chemistry; Wiley-Interscience: New York, 1987.
-
(1987)
Hypercarbon Chemistry
-
-
Olah, G.A.1
Prakash, G.K.S.2
Williams, R.E.3
Field, L.D.4
Wade, K.5
-
14
-
-
0001452679
-
-
Wagner, P. J.; Truman, R. J.; Puchalski, A. E.; Wake, R. J. Am. Chem. Soc. 1986, 108, 7727.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 7727
-
-
Wagner, P.J.1
Truman, R.J.2
Puchalski, A.E.3
Wake, R.4
-
15
-
-
0000586452
-
-
Wagner, P. J.; Thomas, M. J.; Puchalski, A. E. J. Am. Chem. Soc. 1986, 108, 7739.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 7739
-
-
Wagner, P.J.1
Thomas, M.J.2
Puchalski, A.E.3
-
16
-
-
0032054091
-
-
Bockman, T. M.; Hubig, S. M.; Kochi, J. K. J. Am. Chem. Soc. 1998, 120, 2826.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 2826
-
-
Bockman, T.M.1
Hubig, S.M.2
Kochi, J.K.3
-
17
-
-
0029872819
-
-
Mella, M.; Freccero, M.; Albini, A. Tetrahedron 1996, 52, 5549.
-
(1996)
Tetrahedron
, vol.52
, pp. 5549
-
-
Mella, M.1
Freccero, M.2
Albini, A.3
-
20
-
-
0032127118
-
-
Faria, J. L.; McClelland, R. A.; Steenken, S. Chem. Eur. J. 1998, 4, 1275.
-
(1998)
Chem. Eur. J.
, vol.4
, pp. 1275
-
-
Faria, J.L.1
McClelland, R.A.2
Steenken, S.3
-
23
-
-
0029005586
-
-
Fokin, A. A.; Gunchenko, P. A.; Yaroshinsky, A. I.; Krasutsky, P. A.; Yurchenko, A. G. Tetrahedron Lett. 1995, 4479.
-
(1995)
Tetrahedron Lett.
, pp. 4479
-
-
Fokin, A.A.1
Gunchenko, P.A.2
Yaroshinsky, A.I.3
Krasutsky, P.A.4
Yurchenko, A.G.5
-
24
-
-
0032820546
-
-
Fokin, A. A.; Gunchenko, P. A.; Peleshanko, S. A.; Schleyer, P. v. R.; Schreiner, P. R. Eur. J. Org. Chem. 1999, 855.
-
(1999)
Eur. J. Org. Chem.
, pp. 855
-
-
Fokin, A.A.1
Gunchenko, P.A.2
Peleshanko, S.A.3
Schleyer, P.V.R.4
Schreiner, P.R.5
-
25
-
-
0000592299
-
-
Fokin, A. A.; Schreiner, P. R.; Schleyer, P. v. R.; Gunchenko, P. A. J. Org. Chem. 1998, 62, 6494.
-
(1998)
J. Org. Chem.
, vol.62
, pp. 6494
-
-
Fokin, A.A.1
Schreiner, P.R.2
Schleyer, P.V.R.3
Gunchenko, P.A.4
-
27
-
-
0002792095
-
Propellanes
-
Osawa, E., Yonemitsu, O., Eds.; VCH: New York
-
Tobe, Y. Propellanes. In Carbocyclic Cage Compounds, Chemistry and Applications; Osawa, E., Yonemitsu, O., Eds.; VCH: New York, 1992.
-
(1992)
Carbocyclic Cage Compounds, Chemistry and Applications
-
-
Tobe, Y.1
-
28
-
-
0002737122
-
Bridgehead Olefins and Small Ring Propellanes
-
Halton, B., Ed.; JAI Press Ltd.: London
-
Szeimies, G. Bridgehead Olefins and Small Ring Propellanes. In Advances in Strain in Organic Chemistry; Halton, B., Ed.; JAI Press Ltd.: London, 1992; Vol. 2, p 1.
-
(1992)
Advances in Strain in Organic Chemistry
, vol.2
, pp. 1
-
-
Szeimies, G.1
-
30
-
-
0001396833
-
Electrophilic Additions to Bicyclo[1.1.0]butanes
-
Halton, B., Ed.; JAI Press Ltd.: London
-
Christl, M. Electrophilic Additions to Bicyclo[1.1.0]butanes. In Advances in Strain in Organic Chemistry; Halton, B., Ed.; JAI Press Ltd.: London, 1995; Vol. 4, p 163.
-
(1995)
Advances in Strain in Organic Chemistry
, vol.4
, pp. 163
-
-
Christl, M.1
-
35
-
-
0013145819
-
-
Christi, M.; Lang, R.; Herzog, C. Tetrahedron 1986, 42, 1585.
-
(1986)
Tetrahedron
, vol.42
, pp. 1585
-
-
Christi, M.1
Lang, R.2
Herzog, C.3
-
39
-
-
0025050531
-
-
Lambert, J. B.; Chelius, E. C.; Schulz, W. J., Jr.; Carpenter, N. E. J. Am. Chem. Soc. 1990, 112, 3156.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 3156
-
-
Lambert, J.B.1
Chelius, E.C.2
Schulz W.J., Jr.3
Carpenter, N.E.4
-
41
-
-
0000794734
-
-
Hoz, S.; Livneh, M.; Coher, D. J. Am. Chem. Soc. 1987, 109, 5149.
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 5149
-
-
Hoz, S.1
Livneh, M.2
Coher, D.3
-
42
-
-
0003066927
-
-
Yurchenko, A. G.; Kulik, N. I.; Kuchar, V. P.; Djakovskaja, V. M.; Baklan, V. F. Tetrahedron Lett. 1986, 26, 1399.
-
(1986)
Tetrahedron Lett.
, vol.26
, pp. 1399
-
-
Yurchenko, A.G.1
Kulik, N.I.2
Kuchar, V.P.3
Djakovskaja, V.M.4
Baklan, V.F.5
-
43
-
-
33751158467
-
-
Hubig, S. M.; Jung, W.; Kochi, J. K. J. Org. Chem. 1994, 59, 6233.
-
(1994)
J. Org. Chem.
, vol.59
, pp. 6233
-
-
Hubig, S.M.1
Jung, W.2
Kochi, J.K.3
-
44
-
-
0000195889
-
-
Turner, D. E.; O'Malley, R. F.; Sardella, D. J.; Barinelli, L. S.; Kaul, P. J. Org. Chem. 1994, 59, 7335.
-
(1994)
J. Org. Chem.
, vol.59
, pp. 7335
-
-
Turner, D.E.1
O'Malley, R.F.2
Sardella, D.J.3
Barinelli, L.S.4
Kaul, P.5
-
45
-
-
0001833654
-
My Thirty Years in Hydrocarbon Cages: From Adamantane to Dodecahedrane
-
Olah, G. A., Ed.; Wiley: New York
-
Schleyer, P. v. R. My Thirty Years in Hydrocarbon Cages: From Adamantane to Dodecahedrane. In Cage Hydrocarbons; Olah, G. A., Ed.; Wiley: New York, 1990; p 1.
-
(1990)
Cage Hydrocarbons
, pp. 1
-
-
Schleyer, P.V.R.1
-
47
-
-
0018784188
-
-
Wiberg, K. B.; Connon, H. A.; Pratt, W. W. J. Am. Chem. Soc. 1979, 101, 6970.
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 6970
-
-
Wiberg, K.B.1
Connon, H.A.2
Pratt, W.W.3
-
52
-
-
0032550652
-
-
Herbertz, T.; Blume, F.; Roth, H. D. J. Am. Chem. Soc. 1998, 120, 4591.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 4591
-
-
Herbertz, T.1
Blume, F.2
Roth, H.D.3
-
53
-
-
0029991954
-
-
Fokin, A. A.; Gunchenko, P. A.; Kulik, N. I.; Iksanova, S. V.; Krasutsky, P. A.; Gogoman, I. V.; Yurchenko, A. G. Tetrahedron 1996, 5857.
-
(1996)
Tetrahedron
, pp. 5857
-
-
Fokin, A.A.1
Gunchenko, P.A.2
Kulik, N.I.3
Iksanova, S.V.4
Krasutsky, P.A.5
Gogoman, I.V.6
Yurchenko, A.G.7
-
54
-
-
0342735431
-
-
Fokin, A. A.; Gunchenko, P. A.; Yaroshinsky, A. I.; Yurchenko, A. G.; Krasutsky, P. A. Zh. Org. Khim. Russ. 1995, 31, 796.
-
(1995)
Zh. Org. Khim. Russ.
, vol.31
, pp. 796
-
-
Fokin, A.A.1
Gunchenko, P.A.2
Yaroshinsky, A.I.3
Yurchenko, A.G.4
Krasutsky, P.A.5
-
55
-
-
0343605479
-
-
note
-
Vertical IPs were computed for the neutral hydrocarbon geometries where one electron was removed (i.e., a Franck - Condon state). As a consequence, these structures are not stationary and only serve as models for fast and reversible electron transfer in aliphatic hydrocarbons. This is the reason these "structures" are put in brackets in Schemes 4 and 5.
-
-
-
-
57
-
-
0032380559
-
-
Li, J.; Cramer, C. J.; Truhlar, D. G. Theor. Chem. Acc. 1998, 99, 192.
-
(1998)
Theor. Chem. Acc.
, vol.99
, pp. 192
-
-
Li, J.1
Cramer, C.J.2
Truhlar, D.G.3
-
59
-
-
0342685882
-
-
Yates, B. F.; Bouma, W. J., Radom, L. Tetrahedron 1986, 42, 6225.
-
(1986)
Tetrahedron
, vol.42
, pp. 6225
-
-
Yates, B.F.1
Bouma, W.J.2
Radom, L.3
-
60
-
-
0030034365
-
-
Hong, B.; Fox, M. A.; Maier, G.; Hermann, C. Tetrahedron Lett. 1996, 37, 583.
-
(1996)
Tetrahedron Lett.
, vol.37
, pp. 583
-
-
Hong, B.1
Fox, M.A.2
Maier, G.3
Hermann, C.4
-
64
-
-
0029960718
-
-
M., E.
-
Trifunac, A. D.; Werst, D. W.; Herges, R.; Neumann, H.; Prinzbach, H.; M., E. J. Am. Chem. Soc. 1996, 118, 4.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 4
-
-
Trifunac, A.D.1
Werst, D.W.2
Herges, R.3
Neumann, H.4
Prinzbach, H.5
-
65
-
-
33845555951
-
-
Gassman, P. G.; Olson, K. D.; Walter, L.; Yamaguchi, R. J. Am. Chem. Soc. 1981, 103, 4977.
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 4977
-
-
Gassman, P.G.1
Olson, K.D.2
Walter, L.3
Yamaguchi, R.4
-
68
-
-
34247129266
-
-
Weber, K.; Lutz, G.; Knothc, L.; Mortensen, J.; Heinze, J.; Prinzbach, H. J. Chem. Soc., Perkin Trans. 2 1995, 1991.
-
(1995)
J. Chem. Soc., Perkin Trans. 2
, pp. 1991
-
-
Weber, K.1
Lutz, G.2
Knothc, L.3
Mortensen, J.4
Heinze, J.5
Prinzbach, H.6
-
69
-
-
37049121720
-
-
Edwards, G. J.; Jones, S. R.; Mellor, J. M. J. Chem. Soc., Chem. Commun. 1975, 816.
-
(1975)
J. Chem. Soc., Chem. Commun.
, pp. 816
-
-
Edwards, G.J.1
Jones, S.R.2
Mellor, J.M.3
-
73
-
-
0001371161
-
-
Olah, G. A.; Ramaiah, P.; Rao, C. B.; Sandford, G.; Golam, R.; Trivedi, N. J.; Olah, J. A. J. Am. Chem. Soc. 1993, 115, 7246.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 7246
-
-
Olah, G.A.1
Ramaiah, P.2
Rao, C.B.3
Sandford, G.4
Golam, R.5
Trivedi, N.J.6
Olah, J.A.7
-
75
-
-
0011159273
-
-
Clark, T.; Knowx, T. M.; Mackle, H.; McKervey, M. A.; Rooney, J. J. J. Am. Chem. Soc. 1975, 97, 3835.
-
(1975)
J. Am. Chem. Soc.
, vol.97
, pp. 3835
-
-
Clark, T.1
Knowx, T.M.2
Mackle, H.3
McKervey, M.A.4
Rooney, J.J.5
-
77
-
-
0011578349
-
-
Schreiner, P. R.; Schleyer, P. v. R.; Schaefer, H. F., III J. Am. Chem. Soc. 1993, 115, 9659.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 9659
-
-
Schreiner, P.R.1
Schleyer, P.V.R.2
Schaefer H.F. III3
-
78
-
-
0029203549
-
-
Schreiner, P. R.; Schleyer, P. v. R.; Schaefer, H. F., III J. Am. Chem. Soc. 1995, 117, 453.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 453
-
-
Schreiner, P.R.1
Schleyer, P.V.R.2
Schaefer H.F. III3
-
79
-
-
0032572122
-
-
DePuy, C. H.; Gareyev, R.; Hankin, J.; Davico, G. E.; Krempp, M.; Damrauer, R. J. Am. Chem. Soc. 1998, 120, 5086.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 5086
-
-
DePuy, C.H.1
Gareyev, R.2
Hankin, J.3
Davico, G.E.4
Krempp, M.5
Damrauer, R.6
-
80
-
-
0342735426
-
-
note
-
+ cation, modeling the electrophilic reaction with polarized dihalogen compounds. The geometry of the hydrocarbon moiety in this TS and the reaction barriers are quite similar to that found by Bach and Su for the hydroperoxonium ion reaction with isobutane.
-
-
-
-
82
-
-
0030970274
-
-
Cacace, F.; de Petris, G.; Pepi, F. Proc. Natl. Acad. Sci. U.S.A. 1997, 94, 3507.
-
(1997)
Proc. Natl. Acad. Sci. U.S.A.
, vol.94
, pp. 3507
-
-
Cacace, F.1
De Petris, G.2
Pepi, F.3
-
83
-
-
0031275978
-
-
Boronat, M.; Viruela, P.; Corma, A. J. Phys. Chem. B 1997, 101, 10069.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 10069
-
-
Boronat, M.1
Viruela, P.2
Corma, A.3
-
85
-
-
0000630272
-
-
Bach, R. D.; Holubka, J. W.; Badger, R. C.; Rajan, S. J. J. Am. Chem. Soc. 1979, 101, 4416.
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 4416
-
-
Bach, R.D.1
Holubka, J.W.2
Badger, R.C.3
Rajan, S.J.4
-
86
-
-
0343169909
-
-
note
-
3v minimum with a long C-H bond and hydrogen loss occurs as a one-step process.
-
-
-
-
88
-
-
0000518972
-
-
Olivella, S.; Solé, A.; McAdoo, D. J.; Griffin, L. L. J. Am. Chem. Soc. 1994, 116, 11078.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 11078
-
-
Olivella, S.1
Solé, A.2
McAdoo, D.J.3
Griffin, L.L.4
-
89
-
-
0000919381
-
-
Toriyama, K.; Nunome, K.; Iwasaki, M. J. Phys. Chem. 1986, 90, 6836.
-
(1986)
J. Phys. Chem.
, vol.90
, pp. 6836
-
-
Toriyama, K.1
Nunome, K.2
Iwasaki, M.3
-
91
-
-
0343169908
-
-
Bezoari, M. D.; Kovacic, P.; Gadneux, A. R. Org. Mass Spectrom. 1996, 9, 507.
-
(1996)
Org. Mass Spectrom.
, vol.9
, pp. 507
-
-
Bezoari, M.D.1
Kovacic, P.2
Gadneux, A.R.3
-
92
-
-
0028039862
-
-
Albini, A.; Mella, M.; Freccero, M. Tetrahedron 1994, 50, 575
-
(1994)
Tetrahedron
, vol.50
, pp. 575
-
-
Albini, A.1
Mella, M.2
Freccero, M.3
-
93
-
-
0021230458
-
-
Lewis, F. D.; Zebrowski, B. E.; Correa, P. E. J. Am. Chem. Soc. 1984, 106, 187.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 187
-
-
Lewis, F.D.1
Zebrowski, B.E.2
Correa, P.E.3
-
94
-
-
0343605443
-
-
note
-
Adamantane photooxidation with 1,2,4,5-tetracyanobenzene (TCB) in acetonitrile proceeds with intermediate formation of the adamantyl radical cation; further fragmentation to the I-adamantyl radical occurs via elimination of a proton. We studied the KIE of this reaction experimentally for competitive adamantane and 1,3,5,7-tetradeuterioadamantane photooxidation using Mella's conditions (ref 96). The observed inverse KIE (0.90 ± 0.05) shows that proton loss is not included into the rate-limiting step. A detailed study will be published elsewhere.
-
-
-
-
95
-
-
0002253358
-
-
Mella, M.; Fagnoni, M.; Freccero, M.; Fasani, E.; Albini, A. Chem. Soc. Rev. 1998, 27, 81.
-
(1998)
Chem. Soc. Rev.
, vol.27
, pp. 81
-
-
Mella, M.1
Fagnoni, M.2
Freccero, M.3
Fasani, E.4
Albini, A.5
-
96
-
-
0001085303
-
-
Mella, M.; Freccero, M.; Soldi, T.; Fasani, E.; Albini, A. J. Org. Chem. 1996, 61, 1413.
-
(1996)
J. Org. Chem.
, vol.61
, pp. 1413
-
-
Mella, M.1
Freccero, M.2
Soldi, T.3
Fasani, E.4
Albini, A.5
-
97
-
-
0343169905
-
-
note
-
+ cannot be excluded. Generally, it is difficult to differentiate between two possible ways of proton loss form hydrocarbon radical cations in the presence of a nucleophile, i.e., between direct proton transfer to the nucleophile and nucleophilic addition-elimination reactions.
-
-
-
-
98
-
-
0000333019
-
-
Masnovi, J. M.; Sankararaman, S.; Kochi, J. K. J. Am. Chem. Soc. 1989, 111, 2263.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 2263
-
-
Masnovi, J.M.1
Sankararaman, S.2
Kochi, J.K.3
-
99
-
-
0029097060
-
-
Anne, A.; Fraoua, S.; Hapiot, P.; Moiroux, J.; Savèant, J.-M. J. Am. Chem. Soc. 1995, 117, 7412.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 7412
-
-
Anne, A.1
Fraoua, S.2
Hapiot, P.3
Moiroux, J.4
Savèant, J.-M.5
-
101
-
-
0342735423
-
-
note
-
2 is 6.9; for the chlorination with IC1 this value is 3.5.
-
-
-
-
103
-
-
37049075025
-
-
Barton, D. H. R.; Crich, D.; Kretzschmar, G. J. Chem. Soc., Perkin Trans. 1 1986, 39.
-
(1986)
J. Chem. Soc., Perkin Trans. 1
, pp. 39
-
-
Barton, D.H.R.1
Crich, D.2
Kretzschmar, G.3
-
104
-
-
0032479750
-
-
Schreiner, P. R.; Lauenstein, O.; Kolomitsyn, I. V.; Nadi, S.; Fokin, A. A. Angew. Chem. 1998, 110, 1993; Angew. Chem., Int. Ed. 1998, 37, 1895..
-
(1998)
Angew. Chem.
, vol.110
, pp. 1993
-
-
Schreiner, P.R.1
Lauenstein, O.2
Kolomitsyn, I.V.3
Nadi, S.4
Fokin, A.A.5
-
105
-
-
0032479750
-
-
Schreiner, P. R.; Lauenstein, O.; Kolomitsyn, I. V.; Nadi, S.; Fokin, A. A. Angew. Chem. 1998, 110, 1993; Angew. Chem., Int. Ed. 1998, 37, 1895..
-
(1998)
Angew. Chem., Int. Ed.
, vol.37
, pp. 1895
-
-
-
106
-
-
0004133516
-
-
Gaussian, Inc., Revision E.2
-
Gaussian 94, Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A., Gaussian, Inc., 1995, Revision E.2.
-
(1995)
Gaussian 94
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
108
-
-
0004133516
-
-
Gaussian Inc., Version A.5
-
Gaussian 98, Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman J. B.; Cioslowsk, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A., Gaussian Inc., 1998. Version A.5.
-
(1998)
Gaussian 98
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery, J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowsk, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
109
-
-
0000456616
-
-
Braida, B.; Hiberty, P. C.; Savin, A. J. Phys. Chem A 1998, 102, 7872.
-
(1998)
J. Phys. Chem A
, vol.102
, pp. 7872
-
-
Braida, B.1
Hiberty, P.C.2
Savin, A.3
-
110
-
-
0001518498
-
-
Sodupe, N.; Bertran, J.; Rodriguez-Santiago, L.; Baerenz, E. J. J. Phys. Chem. A 1999, 103, 166.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 166
-
-
Sodupe, N.1
Bertran, J.2
Rodriguez-Santiago, L.3
Baerenz, E.J.4
-
111
-
-
0000999745
-
-
Rauhut, G.; Clark, T. J. Chem. Soc., Faraday Trans 1994, 90, 1783.
-
(1994)
J. Chem. Soc., Faraday Trans
, vol.90
, pp. 1783
-
-
Rauhut, G.1
Clark, T.2
-
114
-
-
0011647760
-
-
Wang, J. H.; Becke, A. D.; Smith, V. H. J. Chem. Phys. 1995, 102, 3477.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 3477
-
-
Wang, J.H.1
Becke, A.D.2
Smith, V.H.3
-
115
-
-
0000231531
-
-
Laming, G. J.; Handy, N. C.; Amos, R. D. Mol. Phys. 1993, 80, 1121.
-
(1993)
Mol. Phys.
, vol.80
, pp. 1121
-
-
Laming, G.J.1
Handy, N.C.2
Amos, R.D.3
-
118
-
-
12044259315
-
-
Ma, N. L.; Smith, B. J.; Pople, J. A.; Radom, L. J. Am. Chem. Soc. 1991, 113, 7903.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 7903
-
-
Ma, N.L.1
Smith, B.J.2
Pople, J.A.3
Radom, L.4
-
120
-
-
0039142134
-
-
3 under reflux in liquid bromine (Lichotvorik, I. R.; Dovgan', N. L.; Danilenko, G. I. Zh. Org. Khim. 1977, 13, 897).
-
(1977)
Zh. Org. Khim.
, vol.13
, pp. 897
-
-
Lichotvorik, I.R.1
Dovgan', N.L.2
Danilenko, G.I.3
-
122
-
-
0033578785
-
-
Standard samples of 1-iodo-3-chloro- and 1,3-diiodoadamantanes were prepared using a multiphase halogenation procedure discribed in the following: Schreiner, P. R.; Lauenstein, O.; Butova, E. D.; Fokin, A. A. Angew. Chem., Int. Ed. Engl. 1999, 38, 2786.
-
(1999)
Angew. Chem., Int. Ed. Engl.
, vol.38
, pp. 2786
-
-
Schreiner, P.R.1
Lauenstein, O.2
Butova, E.D.3
Fokin, A.A.4
-
123
-
-
0009707184
-
-
Hamill, H.; Karim, A.; McKervey, M. A. Tetrahedron 1971, 27, 4317.
-
(1971)
Tetrahedron
, vol.27
, pp. 4317
-
-
Hamill, H.1
Karim, A.2
McKervey, M.A.3
-
124
-
-
0031013391
-
-
Fokin, A. A.; Gunchenko, P. A.; Tkachenko, B. A.; Butova, E. D.; Yurchenko, A. G. Tetrahedron Lett. 1997, 38, 639.
-
(1997)
Tetrahedron Lett.
, vol.38
, pp. 639
-
-
Fokin, A.A.1
Gunchenko, P.A.2
Tkachenko, B.A.3
Butova, E.D.4
Yurchenko, A.G.5
-
126
-
-
37049098276
-
-
Doyle, M.; Hafler, R.; Parker, W. J. Chem. Soc., Perkin Trans. I 1977, 364.
-
(1977)
J. Chem. Soc., Perkin Trans. I
, pp. 364
-
-
Doyle, M.1
Hafler, R.2
Parker, W.3
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