-
3
-
-
0040164390
-
-
Špackovà, N.; Berger, I.; Šponer, J. J. Am. Chem. Soc. 1999, 121, 5519.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 5519
-
-
Špackovà, N.1
Berger, I.2
Šponer, J.3
-
4
-
-
0001730433
-
-
Gu, J.; Leszczynski, J.; Bansal, M. Chem. Phys. Lett. 1999, 311, 209.
-
(1999)
Chem. Phys. Lett.
, vol.311
, pp. 209
-
-
Gu, J.1
Leszczynski, J.2
Bansal, M.3
-
6
-
-
0345893810
-
-
Meyer, M.; Steinke, T.; Brandl, M.; Sühnel, J. J. Comput. Chem. 2001, 22, 109.
-
(2001)
J. Comput. Chem.
, vol.22
, pp. 109
-
-
Meyer, M.1
Steinke, T.2
Brandl, M.3
Sühnel, J.4
-
7
-
-
0034600253
-
-
Fonseca Guerra, C.; Bickelhaupt, F. M.; Snijders, J. G., Baerends, E. J. J. Am. Chem. Soc. 2000, 122, 4117.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 4117
-
-
Fonseca Guerra, C.1
Bickelhaupt, F.M.2
Snijders, J.G.3
Baerends, E.J.4
-
9
-
-
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.; Stratman, 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.; Mennuci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokua, K.; Malik, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T. A.; AlLaham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzales, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzales, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. GAUSSIAN 98; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
GAUSSIAN 98
-
-
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
Stratman, 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
Mennuci, 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
Morokua, K.29
Malik, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Baboul, 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.A.45
Allaham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzales, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Gonzales, C.56
Head-Gordon, M.57
Replogle, E.S.58
Pople, J.A.59
more..
-
11
-
-
0345491105
-
-
Lee, C.; Yang, G.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, G.2
Parr, R.G.3
-
12
-
-
0347170005
-
-
Ditchfield, R.; Hehre, W. J.; Pople, J. A J. Chem. Phys. 1972, 56, 2257.
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 2257
-
-
Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
13
-
-
26844534384
-
-
Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
14
-
-
0001470765
-
-
Godbout, E.; Salahub, D. R.; Andzelm, J.; Wimmer, E. Can. J. Chem. 1992, 70, 560.
-
(1992)
Can. J. Chem.
, vol.70
, pp. 560
-
-
Godbout, E.1
Salahub, D.R.2
Andzelm, J.3
Wimmer, E.4
-
15
-
-
0001645699
-
-
Sosa, C.; Andzelm, J.; Elkin, B. C.; Wimmer, E.; Dobbs, K. D.; Dixon, D. A. J. Phys. Chem. 1992, 96, 6630.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 6630
-
-
Sosa, C.1
Andzelm, J.2
Elkin, B.C.3
Wimmer, E.4
Dobbs, K.D.5
Dixon, D.A.6
-
16
-
-
84986468715
-
-
Clark, T.; Chandrasekar, J.; Spitznagel, G. W.; Schleyer, P. v. R. J. Comput. Chem. 1983, 4, 294.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 294
-
-
Clark, T.1
Chandrasekar, J.2
Spitznagel, G.W.3
Schleyer, P.V.R.4
-
17
-
-
36549091139
-
-
Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 1984, 80, 3265.
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 3265
-
-
Frisch, M.J.1
Pople, J.A.2
Binkley, J.S.3
-
19
-
-
0032862536
-
-
Šponer, J.; Burda, J. V.; Leszczynski, J.; Hobza, P. J. Biomol. Struct. Dyn. 1999. 17, 61.
-
(1999)
J. Biomol. Struct. Dyn.
, vol.17
, pp. 61
-
-
Šponer, J.1
Burda, J.V.2
Leszczynski, J.3
Hobza, P.4
-
21
-
-
0034316780
-
-
Brandi, M.; Meyer, M.; Sühnel, J. J. Phys. Chem. A 2000, 104, 11177.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 11177
-
-
Brandi, M.1
Meyer, M.2
Sühnel, J.3
|