-
2
-
-
84980988112
-
-
Szeimies, G.; Boche, G. Angew. Chem., Int. Ed. Engl. 1971, 10, 912.
-
(1971)
Angew. Chem., Int. Ed. Engl.
, vol.10
, pp. 912
-
-
Szeimies, G.1
Boche, G.2
-
5
-
-
0001024070
-
-
Merlet, P.; Peyerimhoff, S. D., Buenker, R. J.; Shih, S. J. Am. Chem. Soc. 1974, 96, 959.
-
(1974)
J. Am. Chem. Soc.
, vol.96
, pp. 959
-
-
Merlet, P.1
Peyerimhoff, S.D.2
Buenker, R.J.3
Shih, S.4
-
8
-
-
0000002898
-
-
Olivella, S.; Solé, A.; Bofill, J. M. J. Am. Chem. Soc. 1990, 112, 2160.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 2160
-
-
Olivella, S.1
Solé, A.2
Bofill, J.M.3
-
13
-
-
27644495824
-
-
DeFrees, D. J.; McIver, R. T., Jr.; Warren, J. H. J. Am. Chem. Soc. 1980, 102, 3334.
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 3334
-
-
DeFrees, D.J.1
McIver Jr., R.T.2
Warren, J.H.3
-
14
-
-
0041689437
-
-
Berkowitz, J.; Ellison, G. B.; Gutman, D. J. Phys. Chem. 1994, 98, 2744.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 2744
-
-
Berkowitz, J.1
Ellison, G.B.2
Gutman, D.3
-
17
-
-
85037325512
-
-
NIST Webbook
-
NIST Webbook: http://webbook.nist.gov.
-
-
-
-
18
-
-
0031561357
-
-
Wilson, R. J.; Mueller, J. A.; Houston, P. L. J. Phys. Chem. A 1997, 101, 7593.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 7593
-
-
Wilson, R.J.1
Mueller, J.A.2
Houston, P.L.3
-
19
-
-
0001731175
-
-
Chang, B.-Y.; Hoetzlein, R. C.; Mueller, J. A.; Geiser, J. D.; Houston, P. L. Rev. Sci. Iustrum. 1998, 69, 1665.
-
(1998)
Rev. Sci. Iustrum.
, vol.69
, pp. 1665
-
-
Chang, B.-Y.1
Hoetzlein, R.C.2
Mueller, J.A.3
Geiser, J.D.4
Houston, P.L.5
-
21
-
-
0001397546
-
-
Jung, Y.-J.; Kim, Y. S.; Kang, W. K.; Jung, K.-H. J. Chem. Phys. 1997, 107, 7187.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 7187
-
-
Jung, Y.-J.1
Kim, Y.S.2
Kang, W.K.3
Jung, K.-H.4
-
22
-
-
43949150670
-
-
Wang, D.; Li, Y.; Li, S.; Zhao, H. Chem. Phys. Lett. 1994, 222, 167.
-
(1994)
Chem. Phys. Lett.
, vol.222
, pp. 167
-
-
Wang, D.1
Li, Y.2
Li, S.3
Zhao, H.4
-
23
-
-
84891154517
-
-
Gaussian, Inc., Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; 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.; Cioslowski, J.; Ortiz J. V.; Baboul, A. G.; 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.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98 Rev. A.9; Gaussian, Inc., Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98 Rev. A.9
-
-
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 Jr., 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
Cioslowski, J.34
Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Gonzalez, C.56
Head-Gordon, M.57
Replogle, E.S.58
Pople, J.A.59
more..
-
24
-
-
84893169025
-
-
GAMESS (March 25, 2000 version for the Power Macintosh)
-
GAMESS (March 25, 2000 version for the Power Macintosh): Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S. J.; Windus, T. L. J. Comput. Chem. 1993, 14, 1347.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1347
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.H.6
Koseki, S.7
Matsunaga, N.8
Nguyen, K.A.9
Su, S.J.10
Windus, T.L.11
-
25
-
-
0000814243
-
-
Ragazos, I. N.; Robb, M. A.; Bernardi, F.; Olivucci, M. Chem. Phys. Lett. 1992, 197, 217.
-
(1992)
Chem. Phys. Lett.
, vol.197
, pp. 217
-
-
Ragazos, I.N.1
Robb, M.A.2
Bernardi, F.3
Olivucci, M.4
-
31
-
-
0001013904
-
-
DePuy, C. H.; Gronert, S.; Barlow, S. E.; Bierbaum, V. M.; Damrauer, R. J. Am. Chem. Soc. 1989, 111, 1968.
-
(1989)
J. Am. Chem. Soc
, vol.111
, pp. 1968
-
-
DePuy, C.H.1
Gronert, S.2
Barlow, S.E.3
Bierbaum, V.M.4
Damrauer, R.5
-
33
-
-
0005591291
-
-
71.6 kcal/mol based on the heats of formation of isopropyl bromide (Davies, J.; Lacher, J. R.; Park, J. D. Trans. Faraday Soc. 1965, 61, 2413)
-
(1965)
Trans. Faraday Soc.
, vol.61
, pp. 2413
-
-
Davies, J.1
Lacher, J.R.2
Park, J.D.3
-
34
-
-
0001983968
-
-
Martinho Simoes, J. A., Greenberg, A., Liebman, J. F., Eds.; Blackie Academic and Professional: London
-
and isopropyl radical (Tsang, W. In Energetics of Organic Free Radicals; Martinho Simoes, J. A., Greenberg, A., Liebman, J. F., Eds.; Blackie Academic and Professional: London, 1996; p 22.)
-
(1996)
Energetics of Organic Free Radicals
, pp. 22
-
-
Tsang, W.1
-
35
-
-
0001368089
-
-
54.9 kcal/mol based on the heats of formation of isopropyl iodide (Furuyama, S.; Golden, D. M.; Benson, S. W. J. Chem. Thermodyn. 1969, 1, 363) and isopropyl radical (see ref 33).
-
(1969)
J. Chem. Thermodyn.
, vol.1
, pp. 363
-
-
Furuyama, S.1
Golden, D.M.2
Benson, S.W.3
-
40
-
-
33749327090
-
-
Minsek, D. W.; Blush, J. A.; Chen, P. J. Phys. Chem. 1992, 96, 2025.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 2025
-
-
Minsek, D.W.1
Blush, J.A.2
Chen, P.3
-
42
-
-
85037302718
-
-
RRKMWSU by L. Zhu and W. L. Hase: Quantum Chemistry Program Exchange (Indiana University) #644
-
RRKMWSU by L. Zhu and W. L. Hase: Quantum Chemistry Program Exchange (Indiana University) #644.
-
-
-
-
43
-
-
0027538424
-
-
and references therein
-
Newcomb, M. Tetrahedron 1993, 49, 1151 and references therein.
-
(1993)
Tetrahedron
, vol.49
, pp. 1151
-
-
Newcomb, M.1
-
44
-
-
0000703066
-
-
Foresman, J. P.; Head-Gordon, M.; Pople, J. A.; Frisch, M. J. J. Phys. Chem. 1992, 96, 135.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 135
-
-
Foresman, J.P.1
Head-Gordon, M.2
Pople, J.A.3
Frisch, M.J.4
|