-
3
-
-
0003417469
-
-
B. M. Trost, I. Fleming, L. A. Paquette, ed., Pergamon, Oxford,; 5, 1129-1162
-
N. E. Schore, in Comprehensive Organic Synthesis, B. M. Trost, I. Fleming, L. A. Paquette, ed., Pergamon, Oxford, 1991; vol. 5, pp. 1129-1162
-
(1991)
Comprehensive Organic Synthesis
-
-
Schore, N.E.1
In2
-
4
-
-
0346265937
-
-
In, E. W. Abel, F. G. A. Stone, G. Wilkinson, L. S. Hegedus, ed., Pergamon, Oxford, 12, 741-784
-
D. B. Grotjahn, In Comprehensive Organometallic Chemistry II, E. W. Abel, F. G. A. Stone, G. Wilkinson, L. S. Hegedus, ed., Pergamon, Oxford, 1995, vol. 12, pp. 741-784
-
(1995)
Comprehensive Organometallic Chemistry II
-
-
Grotjahn, D.B.1
-
24
-
-
77950930734
-
-
I. González A. Pla-Quintana A. Roglans A. Dachs M. Solà T. Parella J. Farjas P. Roura V. Lloveras J. Vidal-Gancedo Chem. Commun. 2010 46 2944 2946
-
(2010)
Chem. Commun.
, vol.46
, pp. 2944-2946
-
-
González, I.1
Pla-Quintana, A.2
Roglans, A.3
Dachs, A.4
Solà, M.5
Parella, T.6
Farjas, J.7
Roura, P.8
Lloveras, V.9
Vidal-Gancedo, J.10
-
29
-
-
0001899585
-
Ene Reactions with Alkenes as Enophiles
-
in, L. A. Paquette, Ed., Pergamon Press, Oxford, 5, pp 1-28 For ene reactions involving propargylic rather than allylic hydrogen, see
-
B. B. Snider, Ene Reactions with Alkenes as Enophiles, in Comprehensive Organic Synthesis, L. A. Paquette, Ed., Pergamon Press, Oxford, 1991, Vol. 5, pp 1-28
-
(1991)
Comprehensive Organic Synthesis
-
-
Snider, B.B.1
-
35
-
-
23944462767
-
Cycloadditions of Allenes
-
For a review on Diels-Alder reactions of vinylallenes, see:, in, N. Krause, A. S. K. Hashmi, ed., Wiley-VCH, Weinheim, 2, pp 727-815 Spin contamination is well known for the calculations of singlet diradical species. The computed energies without or with Yamaguchi-Houk correction for singlet diradical stationary points are all higher than the activation free energies of the corresponding ene reactions (see Supporting Information for details) For theoretical studies on stepwise Diels-Alder reactions, see
-
For a review on Diels-Alder reactions of vinylallenes, see: M. Murakami, T. Matsuda, Cycloadditions of Allenes, in Modern Allene Chemistry, N. Krause, A. S. K. Hashmi, ed., Wiley-VCH, Weinheim, 2004, Vol. 2, pp 727-815
-
(2004)
Modern Allene Chemistry
-
-
Murakami, M.1
Matsuda, T.2
-
37
-
-
38349123621
-
-
For recent examples of distortion/interaction analysis in bimolecular reactions
-
H. Wakayama S. Sakai J. Phys. Chem. A 2007 111 13575 13582
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 13575-13582
-
-
Wakayama, H.1
Sakai, S.2
-
44
-
-
77952416495
-
-
For the unsymmetrical triynes with five and six-member ring precursors, see Fig. S3 in the Supporting Information For gem-dimethyl effect, see
-
K. Yang J. Zheng Y. Zhao D. G. Truhlar J. Chem. Phys. 2010 132 164117
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 164117
-
-
Yang, K.1
Zheng, J.2
Zhao, Y.3
Truhlar, D.G.4
-
45
-
-
20044390256
-
-
For the recent calculations on cycloalkynes with distortion/interaction analysis, see
-
M. E. Jung G. Piizi Chem. Rev. 2005 105 1735 1766
-
(2005)
Chem. Rev.
, vol.105
, pp. 1735-1766
-
-
Jung, M.E.1
Piizi, G.2
-
49
-
-
0038626673
-
-
Revision C.02; Gaussian, Inc., Wallingford, CT
-
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 C.02; Gaussian, Inc., Wallingford, CT, 2004
-
(2004)
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
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..
-
57
-
-
70450206724
-
-
Revision A.01, Gaussian, Inc., Wallingford CT
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, Ö. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski and D. J. Fox, Gaussian 09, Revision A.01, Gaussian, Inc., Wallingford CT, 2009
-
(2009)
Gaussian 09
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
Nakatsuji, H.11
Caricato, M.12
Li, X.13
Hratchian, H.P.14
Izmaylov, A.F.15
Bloino, J.16
Zheng, G.17
Sonnenberg, J.L.18
Hada, M.19
Ehara, M.20
Toyota, K.21
Fukuda, R.22
Hasegawa, J.23
Ishida, M.24
Nakajima, T.25
Honda, Y.26
Kitao, O.27
Nakai, H.28
Vreven, T.29
Montgomery, Jr.J.A.30
Peralta, J.E.31
Ogliaro, F.32
Bearpark, M.33
Heyd, J.J.34
more..
-
58
-
-
70349347859
-
-
Université de Sherbrooke, Québec, Montreal, Canada
-
C. Y. Legault, CYLView, 1.0b, Université de Sherbrooke, Québec, Montreal, Canada, 2009, http://www.cylview.org
-
(2009)
CYLView, 1.0b
-
-
Legault, C.Y.1
|