-
2
-
-
0034681477
-
-
Ugalde, J.M.; Alkorta, I.; Elguero J. Angew. Chem., Int. Ed. 2000, 39, 717.
-
(2000)
Angew. Chem., Int. Ed.
, vol.39
, pp. 717
-
-
Ugalde, J.M.1
Alkorta, I.2
Elguero, J.3
-
6
-
-
0035936231
-
-
Maheshwary, S.; Patel, N.; Sathyamurthy, N.; Kulkarni, A.D.; Gadre, S.R. J. Phys. Chem. A 2001, 105, 10 525.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 10525
-
-
Maheshwary, S.1
Patel, N.2
Sathyamurthy, N.3
Kulkarni, A.D.4
Gadre, S.R.5
-
9
-
-
4143095330
-
-
Kendall, R.A.; Dunning, T.H., Jr.; Harrison, R.J. J. Chem. Phys. 1992, 96, 6796.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning T.H., Jr.2
Harrison, R.J.3
-
11
-
-
0006835073
-
-
Huisken, F.; Kaloudis, M.; Kulcke, A. J. Chem. Phys. 1996, 104, 17.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 17
-
-
Huisken, F.1
Kaloudis, M.2
Kulcke, A.3
-
13
-
-
0345491105
-
-
Lee, C.; Yang, W.; Paar, R.G. Phys. Rev. 1988, B 37, 785.
-
(1988)
Phys. Rev.
, vol.B37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Paar, R.G.3
-
16
-
-
30244527819
-
-
S. Simon, S.; M. Duran, M.; J.J. Dannenberg, J.J. J. Chem. Phys. 1996, 105, 11 024.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 11024
-
-
Simon, S.1
Duran, M.2
Dannenberg, J.J.3
-
18
-
-
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, Jr., J.A.; 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.; 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.; Pang, C.Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P.M.W.; 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.7, Gaussian, Inc., Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, revision A.7
-
-
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
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Pang, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Gonzalez, C.56
Head-Gordon, M.57
Replogle, E.S.58
Pople, J.A.59
more..
-
24
-
-
0000769510
-
-
Dyke, T.R.; Mack, K.M.; Muentner, J.S. J. Chem. Phys. 1977, 66, 498.
-
(1977)
J. Chem. Phys.
, vol.66
, pp. 498
-
-
Dyke, T.R.1
Mack, K.M.2
Muentner, J.S.3
-
32
-
-
0011749261
-
-
Malkin, V.G.; Malkina, O.L.; Steinebrunner, G.; Huber, H. Chem. Eur. J. 1996, 2, 4452.
-
(1996)
Chem. Eur. J.
, vol.2
, pp. 4452
-
-
Malkin, V.G.1
Malkina, O.L.2
Steinebrunner, G.3
Huber, H.4
-
35
-
-
84962425648
-
-
Rega, N.; Cossi, M.; Barone, V. J. Comput. Chem. 1999, 20, 1186.
-
(1999)
J. Comput. Chem.
, vol.20
, pp. 1186
-
-
Rega, N.1
Cossi, M.2
Barone, V.3
-
36
-
-
84961980743
-
-
Klamt, A.; Schüürmann, G. J. Chem. Soc., Perkins Trans. 1993, 2, 799.
-
(1993)
J. Chem. Soc., Perkins Trans.
, vol.2
, pp. 799
-
-
Klamt, A.1
Schüürmann, G.2
-
37
-
-
84961976147
-
-
Andzelm, J.; Kölmel, C.; Klamt, A. J. Chem. Phys. 1995, 103, 9312.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 9312
-
-
Andzelm, J.1
Kölmel, C.2
Klamt, A.3
|