-
2
-
-
37049158339
-
-
Stevens, T. S.; Creighton, E. M.; Gordon, A. B.; MacNicol, M. J. Chem. Soc. 1928, 3193.
-
(1928)
J. Chem. Soc.
, pp. 3193
-
-
Stevens, T.S.1
Creighton, E.M.2
Gordon, A.B.3
MacNicol, M.4
-
5
-
-
0001485086
-
-
Li, A. H.; Dai, L. X.; Aggarwal, V. K. Chem. Rev. 1997, 97, 2341.
-
(1997)
Chem. Rev.
, vol.97
, pp. 2341
-
-
Li, A.H.1
Dai, L.X.2
Aggarwal, V.K.3
-
6
-
-
0040623552
-
-
Dobado, J. A.; Martínez-García, H.; Molina, J.; Sundberg, M. R. J. Am. Chem. Soc. 2000, 122, 1144.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 1144
-
-
Dobado, J.A.1
Martínez-García, H.2
Molina, J.3
Sundberg, M.R.4
-
7
-
-
0000921836
-
-
Naito, T.; Nagase, S.; Yamataka, H. J. Am. Chem. Soc. 1994, 116, 10080.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 10080
-
-
Naito, T.1
Nagase, S.2
Yamataka, H.3
-
8
-
-
0034587283
-
-
Dransfeld, A.; Forro, A.; Veszprémi, T.; Flock, M.; Nguyen, M. T. J. Chem. Soc., Perkin Trans. 2 2000, 2475.
-
(2000)
J. Chem. Soc., Perkin Trans. 2
, pp. 2475
-
-
Dransfeld, A.1
Forro, A.2
Veszprémi, T.3
Flock, M.4
Nguyen, M.T.5
-
10
-
-
0000944370
-
-
Molina, P.; Alajarin, M.; Lopez, C.; Claramunt, R. M.; Foces, M. C.; Hernández, F.; Catalan, J.; de Paz, J. L.; Elguero, J. J. Am. Chem. Soc. 1989, 111, 355.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 355
-
-
Molina, P.1
Alajarin, M.2
Lopez, C.3
Claramunt, R.M.4
Foces, M.C.5
Hernández, F.6
Catalan, J.7
De Paz, J.L.8
Elguero, J.9
-
11
-
-
0000058902
-
-
Nyulászi, L.; Veszprémi, T.; Réffy, J. J. Phys. Chem. 1995, 99, 10142.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 10142
-
-
Nyulászi, L.1
Veszprémi, T.2
Réffy, J.3
-
23
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
24
-
-
0004133516
-
-
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.; Rega, N.; Salvador, P.; Dannenberg, J. J.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; 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.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Revision A.11.4; Gaussian, Inc.; Pittsburgh, PA, 2002.
-
(2002)
Gaussian 98, Revision A.11.4
-
-
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
Rega, N.30
Salvador, P.31
Dannenberg, J.J.32
Malick, D.K.33
Rabuck, A.D.34
Raghavachari, K.35
Foresman, J.B.36
Cioslowski, J.37
Ortiz, J.V.38
Baboul, A.G.39
Stefanov, B.B.40
Liu, G.41
Liashenko, A.42
Piskorz, P.43
Komaromi, I.44
Gomperts, R.45
Martin, R.L.46
Fox, D.J.47
Keith, T.48
Al-Laham, M.A.49
Peng, C.Y.50
Nanayakkara, A.51
Challacombe, M.52
Gill, P.M.W.53
Johnson, B.54
Chen, W.55
Wong, W.56
Andres, J.L.57
Gonzalez, C.58
Head-Gordon, M.59
Replogle, E.S.60
Pople, J.A.61
more..
-
29
-
-
0009951379
-
-
Laboratoire de Chimie Théorique, Université Pierre et Marie Curie: Paris
-
Noury, S.; Kokridis, X.; Fuster, F.; Silvi, B. ToPMoD; Laboratoire de Chimie Théorique, Université Pierre et Marie Curie: Paris, 1999.
-
(1999)
ToPMoD
-
-
Noury, S.1
Kokridis, X.2
Fuster, F.3
Silvi, B.4
-
30
-
-
7544219996
-
-
SCRI, Florida State University: Tallahassee
-
Pepcke, E.; Lyons, J. SciAn 1.2; SCRI, Florida State University: Tallahassee, 1996.
-
(1996)
SciAn 1.2
-
-
Pepcke, E.1
Lyons, J.2
-
31
-
-
7544226243
-
-
note
-
Synaptic order is defined for a valence basin as the number of connections with core basins. Hydrogenated basins, although they do not contain core basins, are considered disynaptic if they contain H nuclei.
-
-
-
-
32
-
-
7544234265
-
-
note
-
3 group bonded to Y, and finally d presenting both substitutions.
-
-
-
-
33
-
-
7544220343
-
-
note
-
2, computed at the BCP.
-
-
-
-
36
-
-
33845557863
-
-
Eades, R. A.; Gassman, P. G.: Dixon, D. A. J. Am. Chem. Soc. 1981, 103, 1066.
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 1066
-
-
Eades, R.A.1
Gassman, P.G.2
Dixon, D.A.3
|