-
3
-
-
84889491424
-
-
M. S. Cooper, H. Heaney, A. J. Newbold, and W. R. Sanderson, Synlett 1990, 533.
-
Synlett
, vol.1990
, pp. 533
-
-
Cooper, M.S.1
Heaney, H.2
Newbold, A.J.3
Sanderson, W.R.4
-
6
-
-
0000331235
-
-
O. Mo, M. Yañez, I. Rozas, and J. Elguero, J. Chem. Phys. 100, 2871 (1994).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 2871
-
-
Mo, O.1
Yañez, M.2
Rozas, I.3
Elguero, J.4
-
9
-
-
0002326521
-
-
O. Mo, M. Yañez, I. Rozas, and J. Elguero, Chem. Phys. Lett. 219, 45 (1994).
-
(1994)
Chem. Phys. Lett.
, vol.219
, pp. 45
-
-
Mo, O.1
Yañez, M.2
Rozas, I.3
Elguero, J.4
-
16
-
-
85034508561
-
-
submitted
-
P. Hobzsa, B. Paizs, O. Bludský, M. Duran, J. J. Dannenberg, and S. Suhai, J. Chem. Phys. (submitted).
-
J. Chem. Phys.
-
-
Hobzsa, P.1
Paizs, B.2
Bludský, O.3
Duran, M.4
Dannenberg, J.J.5
Suhai, S.6
-
18
-
-
77956720609
-
-
T. van Mouric, A. K. Wilson, A. K. Peterson, D. E. Woon, and T. H. Dunning, Jr., Adv. Quantum Chem. 31, 105 (1998).
-
(1998)
Adv. Quantum Chem.
, vol.31
, pp. 105
-
-
Van Mouric, T.1
Wilson, A.K.2
Peterson, A.K.3
Woon, D.E.4
Dunning Jr., T.H.5
-
25
-
-
84990668234
-
-
I. Mayer, P. R. Surján, and Á. Vibók, Int. J. Quantum Chem., Symp. 23, 281 (1989).
-
(1989)
Int. J. Quantum Chem., Symp.
, vol.23
, pp. 281
-
-
Mayer, I.1
Surján, P.R.2
Vibók, Á.3
-
32
-
-
36549097731
-
-
M. J. Frisch, J. E. Del Bene, J. S. Binkley, and H. F. Schaefer III, J. Chem. Phys. 84, 2279 (1986).
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 2279
-
-
Frisch, M.J.1
Del Bene, J.E.2
Binkley, J.S.3
Schaefer III, H.F.4
-
48
-
-
0010922186
-
-
Gaussian Inc., Pittsburgh, PA
-
GAUSSIAN 94, revision C.2., M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. Foresman, B. B. Cioslowski, A. Stefanov, M. Nanayakkara, J. B. Challacombe, C. Y. Peng, P. V. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian Inc., Pittsburgh, PA, 1995.
-
(1995)
GAUSSIAN 94, Revision C.2
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.15
Cioslowski, B.B.16
Stefanov, A.17
Nanayakkara, M.18
Challacombe, J.B.19
Peng, C.Y.20
Ayala, P.V.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
49
-
-
84964933682
-
-
Gaussian Inc. Pittsburgh, PA
-
GAUSSIAN 98, Revision A.4, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, and J. A. Pople, Gaussian Inc. Pittsburgh, PA, 1998.
-
(1998)
GAUSSIAN 98, Revision A.4
-
-
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 Jr., J.A.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
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Gonzalez, C.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
-
57
-
-
0032569184
-
-
J. A. Dobado, J. Molina, H. Martínez-García, and M. R. Sundberg, J. Am. Chem. Soc. 120, 8461 (1998).
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 8461
-
-
Dobado, J.A.1
Molina, J.2
Martínez-García, H.3
Sundberg, M.R.4
-
60
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85034504442
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note
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cp = -10.29 kcal/mol.
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|