-
11
-
-
70349289161
-
-
Synchronous or asynchronous processes can be related to the extension of bond formation of the two C-C σ bonds that are being formed in a cycloaddition reaction. While in a synchronous process the two new σ bonds are formed to the same extent, in an asynchronous process formation of one σ bond is advanced with respect to the other
-
L. R. Domingo J. A. Sáez Org. Biomol. Chem. 2009 7 3576 3583
-
(2009)
Org. Biomol. Chem.
, vol.7
, pp. 3576-3583
-
-
Domingo, L.R.1
Sáez, J.A.2
-
19
-
-
33748225339
-
-
A. Savin A. D. Becke J. Flad R. Nesper H. Preuss H. G. Vonschnering Angew. Chem., Int. Ed. Engl. 1991 30 409 412
-
(1991)
Angew. Chem., Int. Ed. Engl.
, vol.30
, pp. 409-412
-
-
Savin, A.1
Becke, A.D.2
Flad, J.3
Nesper, R.4
Preuss, H.5
Vonschnering, H.G.6
-
23
-
-
78649505668
-
-
In 1960 Errede et al. studied the high chemical reactivity of p-xylylene, which was attributed to its pseudodiradical character. They defined a pseudodiradical as a diamagnetic compound that behaves chemically as if were a diradical.
-
L. R. Domingo E. Chamorro P. Pérez Org. Biomol. Chem. 2010 8 5495 5504
-
(2010)
Org. Biomol. Chem.
, vol.8
, pp. 5495-5504
-
-
Domingo, L.R.1
Chamorro, E.2
Pérez, P.3
-
29
-
-
84873055189
-
-
Wiley, New York
-
W. J. Hehre, L. Radom, P. v. R. Schleyer and J. A. Pople, Ab initio Molecular Orbital Theory, Wiley, New York, 1986
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer V. P, R.3
Pople, J.A.4
-
31
-
-
0003354199
-
Geometry Optimization on Potential Energy Surface
-
in, ed. D. R. Yarkony, World Scientific Publishing, Singapore
-
H. B. Schlegel, Geometry Optimization on Potential Energy Surface, in Modern Electronic Structure Theory, ed., D. R. Yarkony, World Scientific Publishing, Singapore, 1994
-
(1994)
Modern Electronic Structure Theory
-
-
Schlegel, H.B.1
-
38
-
-
21144470378
-
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. Montgomery, J. A. 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, Gaussian03, 2004
-
(2004)
Gaussian03
-
-
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.7
Vreven, J.A.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..
-
54
-
-
78651497656
-
-
A zwitterionic pseudodiradical species is a pseudodiradical which presents a charge separation between two fragments of the species
-
L. R. Domingo J. A. Sáez J. Org. Chem. 2011 76 373 379
-
(2011)
J. Org. Chem.
, vol.76
, pp. 373-379
-
-
Domingo, L.R.1
Sáez, J.A.2
|