-
2
-
-
0035793296
-
-
de Lera, A. R.; Alvarez, R.; Lecea, B.; Torrado, A.; Cossío, F. P. Angew. Chem., Int. Ed. 2001, 40, 557-561.
-
(2001)
Angew. Chem., Int. Ed.
, vol.40
, pp. 557-561
-
-
De Lera, A.R.1
Alvarez, R.2
Lecea, B.3
Torrado, A.4
Cossío, F.P.5
-
3
-
-
0037006845
-
-
Rodríguez-Otero, J.; Cabaleiro-Lago, E. M. Angew. Chem., Int. Ed. 2002, 41, 1147-1150.
-
(2002)
Angew. Chem., Int. Ed.
, vol.41
, pp. 1147-1150
-
-
Rodríguez-Otero, J.1
Cabaleiro-Lago, E.M.2
-
4
-
-
0037006839
-
-
de Lera, A. R.; Cossio, F. P. Angew. Chem., Int. Ed. 2002, 41, 1150-1152.
-
(2002)
Angew. Chem., Int. Ed.
, vol.41
, pp. 1150-1152
-
-
De Lera, A.R.1
Cossio, F.P.2
-
6
-
-
18144374223
-
-
Matito, E.; Solá, M.; Duran, M.; Poater, J. J. Phys. Chem. B 2005, 109, 7591-7593.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 7591-7593
-
-
Matito, E.1
Solá, M.2
Duran, M.3
Poater, J.4
-
7
-
-
4644249343
-
-
Nieto Faza, O.; Silva López, C.; Álvarez, R.; de Lera, A. R. Chem.-Eur. J. 2004, 10, 4324-4333.
-
(2004)
Chem.-Eur. J.
, vol.10
, pp. 4324-4333
-
-
Nieto Faza, O.1
Silva López, C.2
Álvarez, R.3
De Lera, A.R.4
-
8
-
-
0142217509
-
-
Miller, A. K.; Banghart, M. R.; Beaudry, C. M.; Suh, J. M.; Trauner, D. Tetrahedron 2003, 59, 8919-8930.
-
(2003)
Tetrahedron
, vol.59
, pp. 8919-8930
-
-
Miller, A.K.1
Banghart, M.R.2
Beaudry, C.M.3
Suh, J.M.4
Trauner, D.5
-
9
-
-
4344710275
-
-
Miller, A. K.; Byun, D. H.; Beaudry, C. M.; Trauner, D. Proc. Natl. Acad. Sci. U.S.A. 2004, 101, 12019-12023.
-
(2004)
Proc. Natl. Acad. Sci. U.S.A.
, vol.101
, pp. 12019-12023
-
-
Miller, A.K.1
Byun, D.H.2
Beaudry, C.M.3
Trauner, D.4
-
10
-
-
4243553426
-
-
Becke, A. D. Phys. Rev. A: At., Mol., Opt. Phys. 1988, 38, 3098-3100.
-
(1988)
Phys. Rev. A: At., Mol., Opt. Phys.
, vol.38
, pp. 3098-3100
-
-
Becke, A.D.1
-
12
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B: Condens. Matter 1988, 37, 785-789.
-
(1988)
Phys. Rev. B: Condens. Matter
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
13
-
-
15744375697
-
-
Gaussian, Inc.: Wallingford, CT
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; 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.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; 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, P.; 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.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
-
(2004)
Gaussian 03, Revision C.02
-
-
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
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
15
-
-
0004097648
-
-
NBO Version 3.1; Glendening, E. D., Reed, A. E., Carpenter, J. E., Weinhold, F.
-
NBO Version 3.1
-
-
Glendening, E.D.1
Reed, A.E.2
Carpenter, J.E.3
Weinhold, F.4
-
18
-
-
84962429297
-
-
Mineva, T.; Russo, N.; Sicilia, E. J. Comput. Chem. 1998, 19, 290-299.
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 290-299
-
-
Mineva, T.1
Russo, N.2
Sicilia, E.3
-
19
-
-
84961986752
-
-
Cossi, M.; Scalmani, G.; Rega, N.; Barone, V. J. Chem. Phys. 2002, 117, 43-54.
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 43-54
-
-
Cossi, M.1
Scalmani, G.2
Rega, N.3
Barone, V.4
-
20
-
-
84961980743
-
-
Klamt, A.; Schüürmann, G. J. Chem. Soc., Perkin Trans. 2 1993, 2, 799-805.
-
(1993)
J. Chem. Soc., Perkin Trans. 2
, vol.2
, pp. 799-805
-
-
Klamt, A.1
Schüürmann, G.2
-
21
-
-
4244072997
-
-
Klamt, A.; Jonas, V.; Bürger, T.; Lohrenz, J. C. W. J. Phys. Chem. A 1998, 102, 5074-5085.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 5074-5085
-
-
Klamt, A.1
Jonas, V.2
Bürger, T.3
Lohrenz, J.C.W.4
-
23
-
-
84961981991
-
-
Barone, V.; Cossi, M.; Tomasi, J. J. Chem. Phys. 1997, 107, 3210-3221.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 3210-3221
-
-
Barone, V.1
Cossi, M.2
Tomasi, J.3
-
24
-
-
33744930448
-
-
note
-
Despite numerous attempts to locate it, a suitable bicyclic structure seems not to lie on the PES of the protonated (2E, 4Z)-heptatrienal.
-
-
-
-
26
-
-
36148995600
-
-
Reed, A. E.; Weinstock, R. B.; Weinhold, F. J. Chem. Phys. 1985, 83, 735-746.
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 735-746
-
-
Reed, A.E.1
Weinstock, R.B.2
Weinhold, F.3
-
28
-
-
5644273803
-
-
González-Lafont, Á; Moreno, M.; Lluch, J. M. J. Am. Chem. Soc. 2004, 126, 13089-13094.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 13089-13094
-
-
González-Lafont, Á.1
Moreno, M.2
Lluch, J.M.3
-
29
-
-
0034812813
-
-
Bartsch, R. A.; Chae, Y. M.; Ham, S.; Birney, D. M. J. Am. Chem. Soc. 2001, 123, 7479-7486.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 7479-7486
-
-
Bartsch, R.A.1
Chae, Y.M.2
Ham, S.3
Birney, D.M.4
-
30
-
-
21244447305
-
-
Bekele, T.; Christian,. C. F.; Lipton, M. A.; Singleton, D. A. J. Am. Chem. Soc. 2005, 127, 9216-9223.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 9216-9223
-
-
Bekele, T.1
Christian, C.F.2
Lipton, M.A.3
Singleton, D.A.4
-
31
-
-
33744932799
-
-
note
-
For the sake of efficiency, the two-dimensional scan was computed at the lower B3LYP/6-31G(d) level. Notwithstanding, this level of theory yielded structures and relative energies very similar to those computed at the much higher level described in the Computational Methods section.
-
-
-
-
32
-
-
0034670614
-
-
Arrieta, A.; Cossío, F. P.; Lecea, B. J. Org. Chem. 2000, 65, 8458-8464.
-
(2000)
J. Org. Chem.
, vol.65
, pp. 8458-8464
-
-
Arrieta, A.1
Cossío, F.P.2
Lecea, B.3
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