-
4
-
-
85035212117
-
-
Occasionally in the literature this sign convention has been reversed
-
Occasionally in the literature this sign convention has been reversed
-
-
-
-
5
-
-
33748862642
-
-
See, for example
-
See, for example, H. Zipse Top. Curr. Chem., 2006, 263, 163-189
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(2006)
Top. Curr. Chem.
, vol.263
, pp. 163-189
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-
Zipse, H.1
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6
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-
0035901673
-
-
See for example
-
See for example: H. Fischer, L. Radom Angew. Chem., Int. Ed., 2001, 40, 1340-1371
-
(2001)
Angew. Chem., Int. Ed.
, vol.40
, pp. 1340-1371
-
-
Fischer, H.1
Radom, L.2
-
9
-
-
0346150271
-
-
M. L. Coote, A. Pross, L. Radom Org. Lett., 2003, 5, 4689-4692
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(2003)
Org. Lett.
, vol.5
, pp. 4689-4692
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-
Coote, M.L.1
Pross, A.2
Radom, L.3
-
16
-
-
0000023210
-
-
F. M. Welle, H.-D. Beckhaus, C. Rüchardt J. Org. Chem., 1997, 62, 552-558
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(1997)
J. Org. Chem.
, vol.62
, pp. 552-558
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-
Welle, F.M.1
Beckhaus, H.-D.2
Rüchardt, C.3
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17
-
-
84982071835
-
-
G. Hellmann, S. Hellmann, H.-D. Beckhaus, C. Rüchardt Chem. Ber., 1982, 115, 3364-3383
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(1982)
Chem. Ber.
, vol.115
, pp. 3364-3383
-
-
Hellmann, G.1
Hellmann, S.2
Beckhaus, H.-D.3
Rüchardt, C.4
-
18
-
-
0037453558
-
-
N. Matsunaga, D. W. Rogers, A. A. Zavitsas J. Org. Chem., 2003, 68, 3158-3172
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(2003)
J. Org. Chem.
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, pp. 3158-3172
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Matsunaga, N.1
Rogers, D.W.2
Zavitsas, A.A.3
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20
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56449115941
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-
F. de Vleeschouwer, V. Van Speybroeck, M. Waroquier, P. Geerlings, F. de Proft J. Org. Chem., 2008, 73, 9109-9120
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(2008)
J. Org. Chem.
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de Vleeschouwer, F.1
Van Speybroeck, V.2
Waroquier, M.3
Geerlings, P.4
de Proft, F.5
-
21
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-
0040942563
-
-
R. G. Parr, L. von Szentpaly, S. B. Liu J. Am. Chem. Soc., 1999, 121, 1922.
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(1999)
J. Am. Chem. Soc.
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Parr, R.G.1
von Szentpaly, L.2
Liu, S.B.3
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22
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44449171347
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-
F. de Vleeschouwer, V. Van Speybroeck, M. Waroquier, P. Geerlings, F. de Proft Org. Lett., 2007, 9, 2721-2724
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(2007)
Org. Lett.
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de Vleeschouwer, F.1
Van Speybroeck, V.2
Waroquier, M.3
Geerlings, P.4
de Proft, F.5
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23
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60049100694
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-
See for example: and references cited therein
-
See for example: D. R. B. Brittain, C. Y. Lin, A. T. B. Gilbert, E. I. Izgorodina, P. M. W. Gill, M. L. Coote Phys. Chem. Chem. Phys., 2009, 11, 1138-1142. and references cited therein
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Brittain, D.R.B.1
Lin, C.Y.2
Gilbert, A.T.B.3
Izgorodina, E.I.4
Gill, P.M.W.5
Coote, M.L.6
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24
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85035195831
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-
-1
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-1
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-
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25
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0001190197
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J. J. Brocks, H.-D. Beckhaus, A. L. J. Beckwith, C. Rüchardt J. Org. Chem., 1998, 63, 1935-1943
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Brocks, J.J.1
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Beckwith, A.L.J.3
Rüchardt, C.4
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28
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84861494642
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-
A number of the standard RSE values reported here have also recently appeared in the book chapter: M. D. E. Forbes, Wiley
-
A number of the standard RSE values reported here have also recently appeared in the book chapter: M. L. Coote, C. Y. Lin, and H. Zipse, in Carbon-Centered Free Radicals: Structure, Dynamics and Reactivity, ed. M. D. E. Forbes, Wiley, 2010, pp. 83-104
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(2010)
Carbon-Centered Free Radicals: Structure, Dynamics and Reactivity
, pp. 83-104
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Coote, M.L.1
Lin, C.Y.2
Zipse, H.3
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29
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0141704726
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Gaussian, Inc., Pittsburgh, PA
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M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, Gaussian 03, Revision B.03, Gaussian, Inc., Pittsburgh, PA, 2003
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Gaussian 03, Revision B.03
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery, J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Adamo, C.36
Jaramillo, J.37
Gomperts, R.38
Stratmann, R.E.39
Yazyev, O.40
Austin, A.J.41
Cammi, R.42
Pomelli, C.43
Ochterski, J.W.44
Ayala, P.Y.45
Morokuma, K.46
Voth, G.A.47
Salvador, P.48
Dannenberg, J.J.49
Zakrzewski, V.G.50
Dapprich, S.51
Daniels, A.D.52
Strain, M.C.53
Farkas, O.54
Malick, D.K.55
Rabuck, A.D.56
Raghavachari, K.57
Foresman, J.B.58
Ortiz, J.V.59
Cui, Q.60
Baboul, A.G.61
Clifford, S.62
Cioslowski, J.63
Stefanov, B.B.64
Liu, G.65
Liashenko, A.66
Piskorz, P.67
Komaromi, I.68
Martin, R.L.69
Fox, D.J.70
Keith, T.71
Al-Laham, M.A.72
Peng, C.Y.73
Nanayakkara, A.74
Challacombe, M.75
Gill, P.M.W.76
Johnson, B.77
Chen, W.78
Wong, M.W.79
Gonzalez, C.80
Pople, J.A.81
more..
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30
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79955597447
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H.-J. Werner, P. J. Knowles, R. Lindh, F. R. Manby, M. Schütz, P. Celani, T. Korona, G. Rauhut, R. D. Amos, A. Bernhardsson, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, A. W. Lloyd, S. J. McNicholas, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni, and T. Thorsteinsson, MOLPRO, version 2006.6, a package of ab initio programs, see http://www.molpro.net
-
MOLPRO, version 2006.6, a package of ab initio programs
-
-
Werner, H.-J.1
Knowles, P.J.2
Lindh, R.3
Manby, F.R.4
Schütz, M.5
Celani, P.6
Korona, T.7
Rauhut, G.8
Amos, R.D.9
Bernhardsson, A.10
Berning, A.11
Cooper, D.L.12
Deegan, M.J.O.13
Dobbyn, A.J.14
Eckert, F.15
Hampel, C.16
Hetzer, G.17
Lloyd, A.W.18
McNicholas, S.J.19
Meyer, W.20
Mura, M.E.21
Nicklass, A.22
Palmieri, P.23
Pitzer, R.24
Schumann, U.25
Stoll, H.26
Stone, A.J.27
Tarroni, R.28
Thorsteinsson, T.29
more..
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0035850379
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24944546573
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E. I. Izgorodina, M. L. Coote, L. Radom J. Phys. Chem. A, 2005, 109, 7558-7566
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J. Phys. Chem. A
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35748940326
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E. I. Izgorodina, D. R. B. Brittain, J. L. Hodgson, E. H. Krenske, C. Y. Lin, M. Namazian, M. L. Coote J. Phys. Chem. A, 2007, 111, 10754-10768
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J. Phys. Chem. A
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Izgorodina, E.I.1
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Hodgson, J.L.3
Krenske, E.H.4
Lin, C.Y.5
Namazian, M.6
Coote, M.L.7
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35
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64849090861
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C. Y. Lin, J. L. Hodgson, M. Namazian, M. L. Coote J. Phys. Chem. A, 2009, 113, 3690-3697
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J. Phys. Chem. A
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Lin, C.Y.1
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0037444624
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D. J. Henry, M. B. Sullivan, L. Radom J. Chem. Phys., 2003, 118, 4849-4860
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85035222343
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This program is freely available from
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This program is freely available from http://rsc.anu.edu.au/cylin/scripts.html
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-
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39
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41549091976
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27844536430
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See for example: and references cited therein
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See for example: E. Ruiz, J. Cirera, S. Alvarez Coord. Chem. Rev., 2005, 249, 2649-2660. and references cited therein
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Ruiz, E.1
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42
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33847798283
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For detailed molecular orbital based analyses of radical stabilities, see for example
-
For detailed molecular orbital based analyses of radical stabilities, see for example: F. Bernardi, N. D. Epiotis, W. Cherry, H. B. Schlegel, M.-H. Whangbo, S. Wolfe J. Am. Chem. Soc., 1976, 98, 469-478
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Cherry, W.3
Schlegel, H.B.4
Whangbo, M.-H.5
Wolfe, S.6
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43
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(2001)
J. Phys. Chem. A
, vol.105
, pp. 6750-6756
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Henry, D.J.1
Parkinson, C.J.2
Mayer, P.M.3
Radom, L.4
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