-
1
-
-
2342638414
-
-
Part 5
-
Fleischhauer, J.; Höweler, U.; Spanget-Larsen, J.; Raabe, G.; Michl, J. (Part 5). J Phys Chem 2004, 108, 3225.
-
(2004)
J Phys Chem
, vol.108
, pp. 3225
-
-
Fleischhauer, J.1
Höweler, U.2
Spanget-Larsen, J.3
Raabe, G.4
Michl, J.5
-
2
-
-
0039549785
-
-
Höweler, U.; Downing, J. W.; Fleischhauer, J.; Michl, J. Perkin Transactions 1998, 2, 1101.
-
(1998)
Perkin Transactions
, vol.2
, pp. 1101
-
-
Höweler, U.1
Downing, J.W.2
Fleischhauer, J.3
Michl, J.4
-
3
-
-
0642328049
-
-
Baird, N. C.; West, R. M. J Am Chem Soc 1971, 93, 3072; Nakajima, T. Fortsch Chem Forsch 1972, 32, 1.
-
(1971)
J Am Chem Soc
, vol.93
, pp. 3072
-
-
Baird, N.C.1
West, R.M.2
-
4
-
-
0642328049
-
-
Baird, N. C.; West, R. M. J Am Chem Soc 1971, 93, 3072; Nakajima, T. Fortsch Chem Forsch 1972, 32, 1.
-
(1972)
Fortsch Chem Forsch
, vol.32
, pp. 1
-
-
Nakajima, T.1
-
5
-
-
0001690899
-
-
Falchi, A.; Gellini, C.; Salvi, P. R.; Hafner, K. J Phys Chem 1995, 99, 14659.
-
(1995)
J Phys Chem
, vol.99
, pp. 14659
-
-
Falchi, A.1
Gellini, C.2
Salvi, P.R.3
Hafner, K.4
-
6
-
-
0030972307
-
-
Bally, T.; Chai, S.; Neuenschwander, M.; Zhu, Z. J Am Chem Soc 1997, 119, 1869.
-
(1997)
J Am Chem Soc
, vol.119
, pp. 1869
-
-
Bally, T.1
Chai, S.2
Neuenschwander, M.3
Zhu, Z.4
-
7
-
-
0000823356
-
-
Falchi, A.; Gellini, C.; Salvi, P. R.; Hafner, K. J Phys Chem A 1998, 102, 5006.
-
(1998)
J Phys Chem A
, vol.102
, pp. 5006
-
-
Falchi, A.1
Gellini, C.2
Salvi, P.R.3
Hafner, K.4
-
9
-
-
0042020811
-
-
Le Goff, E. J Am Chem Soc 1962, 84, 3975; Hafner, K. Pure Appl Chem Suppl 2, 1971, 1; Hafner, K.; Dönges, R.; Goedecke, E.; Kaiser, R. Angew Chem Int Ed Engl 1973, 12, 337; Bloch, R.; Marty, R. A.; de Mayo, P. J Am Chem Soc 1971, 93, 3071; Bull Soc Chim Fr 1972, 203.
-
(1962)
J Am Chem Soc
, vol.84
, pp. 3975
-
-
Le Goff, E.1
-
10
-
-
17644419032
-
-
Le Goff, E. J Am Chem Soc 1962, 84, 3975; Hafner, K. Pure Appl Chem Suppl 2, 1971, 1; Hafner, K.; Dönges, R.; Goedecke, E.; Kaiser, R. Angew Chem Int Ed Engl 1973, 12, 337; Bloch, R.; Marty, R. A.; de Mayo, P. J Am Chem Soc 1971, 93, 3071; Bull Soc Chim Fr 1972, 203.
-
(2002)
Pure Appl Chem Suppl
, vol.1971
, pp. 1
-
-
Hafner, K.1
-
11
-
-
84982377475
-
-
Le Goff, E. J Am Chem Soc 1962, 84, 3975; Hafner, K. Pure Appl Chem Suppl 2, 1971, 1; Hafner, K.; Dönges, R.; Goedecke, E.; Kaiser, R. Angew Chem Int Ed Engl 1973, 12, 337; Bloch, R.; Marty, R. A.; de Mayo, P. J Am Chem Soc 1971, 93, 3071; Bull Soc Chim Fr 1972, 203.
-
(1973)
Angew Chem Int Ed Engl
, vol.12
, pp. 337
-
-
Hafner, K.1
Dönges, R.2
Goedecke, E.3
Kaiser, R.4
-
12
-
-
0001180584
-
-
Le Goff, E. J Am Chem Soc 1962, 84, 3975; Hafner, K. Pure Appl Chem Suppl 2, 1971, 1; Hafner, K.; Dönges, R.; Goedecke, E.; Kaiser, R. Angew Chem Int Ed Engl 1973, 12, 337; Bloch, R.; Marty, R. A.; de Mayo, P. J Am Chem Soc 1971, 93, 3071; Bull Soc Chim Fr 1972, 203.
-
(1971)
J Am Chem Soc
, vol.93
, pp. 3071
-
-
Bloch, R.1
Marty, R.A.2
De Mayo, P.3
-
13
-
-
17644369563
-
-
Le Goff, E. J Am Chem Soc 1962, 84, 3975; Hafner, K. Pure Appl Chem Suppl 2, 1971, 1; Hafner, K.; Dönges, R.; Goedecke, E.; Kaiser, R. Angew Chem Int Ed Engl 1973, 12, 337; Bloch, R.; Marty, R. A.; de Mayo, P. J Am Chem Soc 1971, 93, 3071; Bull Soc Chim Fr 1972, 203.
-
(1972)
Bull Soc Chim Fr
, pp. 203
-
-
-
15
-
-
0346996845
-
-
Fleischhauer, J.; Höweler, U.; Michl, J. Spectrochim Acta 1999, 55A, 585.
-
(1999)
Spectrochim Acta
, vol.55 A
, pp. 585
-
-
Fleischhauer, J.1
Höweler, U.2
Michl, J.3
-
16
-
-
0342359192
-
-
Fleischhauer, J.; Höweler, U.; Michl, J. J Phys Chem A 2000, 104, 7762.
-
(2000)
J Phys Chem A
, vol.104
, pp. 7762
-
-
Fleischhauer, J.1
Höweler, U.2
Michl, J.3
-
21
-
-
84982466839
-
-
Hafner, K.; Diehl, H.; Süss, H. U. Angew Chem Int Ed Engl 1976, 15, 104.
-
(1976)
Angew Chem Int Ed Engl
, vol.15
, pp. 104
-
-
Hafner, K.1
Diehl, H.2
Süss, H.U.3
-
23
-
-
0037596430
-
-
Böttcher, A.; Raabe, G.; Michl, J. J Org Chem 1985, 50, 5050.
-
(1985)
J Org Chem
, vol.50
, pp. 5050
-
-
Böttcher, A.1
Raabe, G.2
Michl, J.3
-
24
-
-
0038626673
-
-
Gaussian 03, Gaussian: Pittsburgh
-
Gaussian 03, Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, Jr., J. A.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Kiene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, F.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challa-combe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Gaussian: Pittsburgh, 2003.
-
(2003)
Gaussian 03
-
-
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 Jr., 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
Kiene, 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, F.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
Challa-Combe, 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..
-
25
-
-
0039209924
-
-
Schäfer, A.; Huber, C.; Ahlrichs, R. J Chem Phys 1994, 100, 5829.
-
(1994)
J Chem Phys
, vol.100
, pp. 5829
-
-
Schäfer, A.1
Huber, C.2
Ahlrichs, R.3
-
26
-
-
0043049887
-
-
Becke, A. D. J Chem Phys 1988, 88, 2547. Becke, A. D. Phys Rev 1988, A38, 3098. Perdew, J. P. Phys Rev 1986, B33, 8822. Perdew, J. P. Phys Rev 1986, B38, 7406.
-
(1988)
J Chem Phys
, vol.88
, pp. 2547
-
-
Becke, A.D.1
-
27
-
-
4243553426
-
-
Becke, A. D. J Chem Phys 1988, 88, 2547. Becke, A. D. Phys Rev 1988, A38, 3098. Perdew, J. P. Phys Rev 1986, B33, 8822. Perdew, J. P. Phys Rev 1986, B38, 7406.
-
(1988)
Phys Rev
, vol.A38
, pp. 3098
-
-
Becke, A.D.1
-
28
-
-
5944261746
-
-
Becke, A. D. J Chem Phys 1988, 88, 2547. Becke, A. D. Phys Rev 1988, A38, 3098. Perdew, J. P. Phys Rev 1986, B33, 8822. Perdew, J. P. Phys Rev 1986, B38, 7406.
-
(1986)
Phys Rev
, vol.B33
, pp. 8822
-
-
Perdew, J.P.1
-
29
-
-
4043083704
-
-
Becke, A. D. J Chem Phys 1988, 88, 2547. Becke, A. D. Phys Rev 1988, A38, 3098. Perdew, J. P. Phys Rev 1986, B33, 8822. Perdew, J. P. Phys Rev 1986, B38, 7406.
-
(1986)
Phys Rev
, vol.B38
, pp. 7406
-
-
Perdew, J.P.1
-
30
-
-
0003845334
-
-
Quantum Chemistry Group, University of Karlsruhe; Karlsruhe, Germany
-
Ahlrichs, R., et al. Turbomole, Version 5; Quantum Chemistry Group, University of Karlsruhe; Karlsruhe, Germany, 1998.
-
(1998)
Turbomole, Version 5
-
-
Ahlrichs, R.1
-
31
-
-
0002283055
-
-
Lesczynski, J., Ed.; World Scientific: Singapore
-
Nakatsuji, H. In Computational Chemistry-Reviews of Current Trends, Vol. 2; Lesczynski, J., Ed.; World Scientific: Singapore, 1997; p 62.
-
(1997)
Computational Chemistry-reviews of Current Trends
, vol.2
, pp. 62
-
-
Nakatsuji, H.1
-
32
-
-
28944448300
-
-
Dunning, T. H., Jr. J Chem Phys 1970, 53, 2823; Dunning, T. H., Jr.; Hay, P. J. In Methods of Electronic Structure Theory; Schaefer, H. F., III, Ed.; Plenum Press: New York, 1977; p 1; Magnusson, E.; Schaefer, H. F., III, J Chem Phys 1985, 83, 5721.
-
(1970)
J Chem Phys
, vol.53
, pp. 2823
-
-
Dunning Jr., T.H.1
-
33
-
-
28944448300
-
-
Schaefer, H. F., III, Ed.; Plenum Press: New York
-
Dunning, T. H., Jr. J Chem Phys 1970, 53, 2823; Dunning, T. H., Jr.; Hay, P. J. In Methods of Electronic Structure Theory; Schaefer, H. F., III, Ed.; Plenum Press: New York, 1977; p 1; Magnusson, E.; Schaefer, H. F., III, J Chem Phys 1985, 83, 5721.
-
(1977)
Methods of Electronic Structure Theory
, pp. 1
-
-
Dunning Jr., T.H.1
Hay, P.J.2
-
34
-
-
36549103469
-
-
Dunning, T. H., Jr. J Chem Phys 1970, 53, 2823; Dunning, T. H., Jr.; Hay, P. J. In Methods of Electronic Structure Theory; Schaefer, H. F., III, Ed.; Plenum Press: New York, 1977; p 1; Magnusson, E.; Schaefer, H. F., III, J Chem Phys 1985, 83, 5721.
-
(1985)
J Chem Phys
, vol.83
, pp. 5721
-
-
Magnusson, E.1
Schaefer III, H.F.2
-
35
-
-
17644371927
-
-
Downing, J.; Ehara, M.; Nakatsuji, H.; Michl, J. (to appear)
-
Downing, J.; Ehara, M.; Nakatsuji, H.; Michl, J. (to appear).
-
-
-
-
37
-
-
0003524163
-
-
Kataoka, M.; Koseki, S.; Nakajima, T.; Iida, K. Nouv J Chim 1985, 9, 135.
-
(1985)
Nouv J Chim
, vol.9
, pp. 135
-
-
Kataoka, M.1
Koseki, S.2
Nakajima, T.3
Iida, K.4
-
39
-
-
84982478120
-
-
Lindner, H. J.; Kitschke, B. Angew Chem, Int Ed Engl 1976, 15, 106.
-
(1976)
Angew Chem, Int Ed Engl
, vol.15
, pp. 106
-
-
Lindner, H.J.1
Kitschke, B.2
-
41
-
-
84982359699
-
-
Vogel, E.; Konigshofen, H.; Wassen, J.; Müllen, K.; Oth, J. F. M. Angew Chem Int Ed Engl 1974, 13, 732.
-
(1974)
Angew Chem Int Ed Engl
, vol.13
, pp. 732
-
-
Vogel, E.1
Konigshofen, H.2
Wassen, J.3
Müllen, K.4
Oth, J.F.M.5
-
42
-
-
84990123067
-
-
For leading references see Maier, G. Angew Chem, Int Ed Engl 1988, 27, 309. Arnold, B. R.; Michl, J. In Kinetics and Spectroscopy of Carbenes and Biradicals; Platz, M. S., Ed.; Plenum: New York, NY, 1990; Arnold, B. R.; Radziszewski, J. G.; Campion, A.; Perry, S. S.; Michl, J. J Am Chem Soc 1991, 113, 692.
-
(1988)
Angew Chem, Int Ed Engl
, vol.27
, pp. 309
-
-
Maier, G.1
-
43
-
-
0003673645
-
-
Platz, M. S., Ed.; Plenum: New York, NY
-
For leading references see Maier, G. Angew Chem, Int Ed Engl 1988, 27, 309. Arnold, B. R.; Michl, J. In Kinetics and Spectroscopy of Carbenes and Biradicals; Platz, M. S., Ed.; Plenum: New York, NY, 1990; Arnold, B. R.; Radziszewski, J. G.; Campion, A.; Perry, S. S.; Michl, J. J Am Chem Soc 1991, 113, 692.
-
(1990)
Kinetics and Spectroscopy of Carbenes and Biradicals
-
-
Arnold, B.R.1
Michl, J.2
-
44
-
-
0000285983
-
-
For leading references see Maier, G. Angew Chem, Int Ed Engl 1988, 27, 309. Arnold, B. R.; Michl, J. In Kinetics and Spectroscopy of Carbenes and Biradicals; Platz, M. S., Ed.; Plenum: New York, NY, 1990; Arnold, B. R.; Radziszewski, J. G.; Campion, A.; Perry, S. S.; Michl, J. J Am Chem Soc 1991, 113, 692.
-
(1991)
J Am Chem Soc
, vol.113
, pp. 692
-
-
Arnold, B.R.1
Radziszewski, J.G.2
Campion, A.3
Perry, S.S.4
Michl, J.5
-
47
-
-
17644367777
-
-
note
-
Except that according to the DFT result, ∑HL is slightly bigger than |ΔHSL| in 2.
-
-
-
-
48
-
-
0001585746
-
-
Bonacic-Koutecký, V.; Koutecký, J.; Michl, J. Angew Chem 1987, 99, 216.
-
(1987)
Angew Chem
, vol.99
, pp. 216
-
-
Bonacic-Koutecký, V.1
Koutecký, J.2
Michl, J.3
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