-
1
-
-
0042790976
-
-
(a) Sepúlveda-Arques J., Armero-Alarte T., Acero-Alarcón A., Zaballos-García E., Yruretagoyena Solesio B., Ezquerra-Carrera J. Tetrahedron. 52:1996;2097
-
(1996)
Tetrahedron
, vol.52
, pp. 2097
-
-
Sepúlveda-Arques, J.1
Armero-Alarte, T.2
Acero-Alarcón, A.3
Zaballos-García, E.4
Yruretagoyena Solesio, B.5
Ezquerra-Carrera, J.6
-
2
-
-
0035844350
-
-
(b) Testa M.L., Hajji C., Zaballos-García E., García-Segovia A.B., Sepúlveda-Arques J. Tetrahedron: Asymmetry. 12:2001;1369.
-
(2001)
Tetrahedron: Asymmetry
, vol.12
, pp. 1369
-
-
Testa, M.L.1
Hajji, C.2
Zaballos-García, E.3
García-Segovia, A.B.4
Sepúlveda-Arques, J.5
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9
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-
0012640318
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The activation barrier for the ring-closure step for the cis 5-membered bicyclic aziridine via TS2-BC (see Fig. 4) is ca. 4 kcal/mol less energetic than that for the acyclic intermediate IN2-2c. In addition, the restricted C2-C3 bond-rotation at the corresponding bicyclic intermediate favours the antiperiplanar arrangement of both carboxymethyl and chloride substituents
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The activation barrier for the ring-closure step for the cis 5-membered bicyclic aziridine via TS2-BC (see Fig. 4) is ca. 4 kcal/mol less energetic than that for the acyclic intermediate IN2-2c. In addition, the restricted C2-C3 bond-rotation at the corresponding bicyclic intermediate favours the antiperiplanar arrangement of both carboxymethyl and chloride substituents.
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14
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0004133516
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-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M. W.; Gill, P. M.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Revision A.6; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision A.6
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Challacombe, M.W.48
Gill, P.M.49
Johnson, B.50
Chen, W.51
Wong, M.W.52
Andres, J.L.53
Gonzalez, C.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
16
-
-
0003354199
-
Geometry Optimization on Potential Energy Surface
-
D.R. Yarkony. Singapore: World Scientific
-
(b) Schlegel H.B. Geometry Optimization on Potential Energy Surface. Yarkony D.R. Modern Electronic Structure Theory. 1994;World Scientific, Singapore.
-
(1994)
Modern Electronic Structure Theory
-
-
Schlegel, H.B.1
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