-
2
-
-
0000284309
-
-
A. K. Cheng, F. A. L. Anet, J. Mioduski, J. Meinwald, J. Am. Chem. Soc. 1974, 96, 2887-2891.
-
(1974)
J. Am. Chem. Soc.
, vol.96
, pp. 2887-2891
-
-
Cheng, A.K.1
Anet, F.A.L.2
Mioduski, J.3
Meinwald, J.4
-
3
-
-
0005332341
-
-
H. Jiao, P. von R. Schleyer, Angew. Chem. 1993, 105, 1830-1833; Angew. Chem. Int. Ed. Engl. 1993, 32, 1760-1763.
-
(1993)
Angew. Chem.
, vol.105
, pp. 1830-1833
-
-
Jiao, H.1
Schleyer, P.V.R.2
-
4
-
-
33748225178
-
-
H. Jiao, P. von R. Schleyer, Angew. Chem. 1993, 105, 1830-1833; Angew. Chem. Int. Ed. Engl. 1993, 32, 1760-1763.
-
(1993)
Angew. Chem. Int. Ed. Engl.
, vol.32
, pp. 1760-1763
-
-
-
5
-
-
0030834306
-
-
H. Jiao, R. Nagelkerke, H. A. Kurtz, R. V. Williams, W. T. Borden, P. von R. Schleyer, J. Am. Chem. Soc. 1997, 119, 5921-5929.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 5921-5929
-
-
Jiao, H.1
Nagelkerke, R.2
Kurtz, H.A.3
Williams, R.V.4
Borden, W.T.5
Schleyer, P.V.R.6
-
7
-
-
0039704713
-
-
R. Huisgen, F. Mietzsch, Angew. Chem. 1964, 76, 36-38; Angew. Chem. Int. Ed. Engl. 1964, 3, 83-87.
-
(1964)
Angew. Chem.
, vol.76
, pp. 36-38
-
-
Huisgen, R.1
Mietzsch, F.2
-
8
-
-
77955132676
-
-
R. Huisgen, F. Mietzsch, Angew. Chem. 1964, 76, 36-38; Angew. Chem. Int. Ed. Engl. 1964, 3, 83-87.
-
(1964)
Angew. Chem. Int. Ed. Engl.
, vol.3
, pp. 83-87
-
-
-
9
-
-
0001410862
-
-
J.-L. Andrés, O. Castaño, A. Morreale, R. Palmeiro, R. Gomperts, J. Chem. Phys. 1998, 108, 203-207.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 203-207
-
-
Andrés, J.-L.1
Castaño, O.2
Morreale, A.3
Palmeiro, R.4
Gomperts, R.5
-
10
-
-
0000054235
-
-
O. Castaño, R. Notario, R. Gomperts, J.-L. M. Abboud, R. Palmeiro, J.-L. Andrés, J. Phys. Chem. A 1998, 102, 4949-4951.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 4949-4951
-
-
Castaño, O.1
Notario, R.2
Gomperts, R.3
Abboud, J.-L.M.4
Palmeiro, R.5
Andrés, J.-L.6
-
15
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh PA
-
Gaussian 98, Revision A.6, 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, J. A. Pople, 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
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..
-
16
-
-
0342478201
-
-
note
-
The G2(MP2) and G2 procedures were introduced by Pople and coworkers[15, 16] with the purpose of making reliable theoretical predictions. The two methods differ in their implementation of additivity approximations but each corresponds effectively to calculations at the QCISD(T)/6-311 + G(3df,2p) level with MP2(full)/ 6-31G(d) optimized geometries. Scaled HF/6-31G(d) zero-point vibrational energies and higher level corrections accommodate the remaining deficiencies.
-
-
-
-
17
-
-
36449002507
-
-
L. A. Curtiss, K. Raghavachari, J. A. Pople, J. Chem. Phys. 1993, 98, 1293-1298.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1293-1298
-
-
Curtiss, L.A.1
Raghavachari, K.2
Pople, J.A.3
-
18
-
-
0041401966
-
-
L. A. Curtiss, K. Raghavachari, G. W. Trucks, J. A. Pople, J. Chem. Phys. 1997, 94, 7221-7230.
-
(1997)
J. Chem. Phys.
, vol.94
, pp. 7221-7230
-
-
Curtiss, L.A.1
Raghavachari, K.2
Trucks, G.W.3
Pople, J.A.4
-
19
-
-
0342912504
-
-
note
-
8 family of isomers.
-
-
-
|