-
1
-
-
0942268401
-
-
F. Weigend, F. Furche and R. Ahlrichs, J. Chem. Phys., 2003, 119(24), 12753-12762.
-
(2003)
J. Chem. Phys.
, vol.119
, Issue.24
, pp. 12753-12762
-
-
Weigend, F.1
Furche, F.2
Ahlrichs, R.3
-
2
-
-
26244446760
-
-
note
-
These basis sets can be obtained together with a list containing most of references from the Extensible Computational Chemistry Environment Basis Set Database, Version 02/25/04, as developed and distributed by the Molecular Science Computing Facility. Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington 99352, USA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact Karen Schuchardt for further information.
-
-
-
-
3
-
-
0030583027
-
-
T. Leininger, A. Nicklass, W. Küchle, H. Stoll, M. Dolg and A. Bergner, Chem. Phys. Lett., 1996, 255, 274-280.
-
(1996)
Chem. Phys. Lett.
, vol.255
, pp. 274-280
-
-
Leininger, T.1
Nicklass, A.2
Küchle, W.3
Stoll, H.4
Dolg, M.5
Bergner, A.6
-
4
-
-
36448999709
-
-
M. Kaupp, P. V. Schleyer, H. Stoll and H. Preuss, J. Chem. Phys., 1991, 94, 1360-1366.
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 1360-1366
-
-
Kaupp, M.1
Schleyer, P.V.2
Stoll, H.3
Preuss, H.4
-
5
-
-
11744322674
-
-
D. Andrae, U. Haeussermann, M. Dolg, H. Stoll and H. Preuss, Theor. Chim. Acta, 1990, 77, 123-141.
-
(1990)
Theor. Chim. Acta
, vol.77
, pp. 123-141
-
-
Andrae, D.1
Haeussermann, U.2
Dolg, M.3
Stoll, H.4
Preuss, H.5
-
6
-
-
84944675147
-
-
A. Bergner, M. Dolg, W. Kuechle, H. Stoll and H. Preuss, Mol. Phys., 1993, 80, 1431-1441.
-
(1993)
Mol. Phys.
, vol.80
, pp. 1431-1441
-
-
Bergner, A.1
Dolg, M.2
Kuechle, W.3
Stoll, H.4
Preuss, H.5
-
7
-
-
84865732662
-
-
W. Kuechle, M. Dolg, H. Stoll and H. Preuss, Mol. Phys., 1991, 74, 1245-1263.
-
(1991)
Mol. Phys.
, vol.74
, pp. 1245-1263
-
-
Kuechle, W.1
Dolg, M.2
Stoll, H.3
Preuss, H.4
-
8
-
-
0000073650
-
-
M. Dolg, H. Stoll, A. Savin and H. Preuss, Theor. Chim. Acta, 1989, 75, 173-194.
-
(1989)
Theor. Chim. Acta
, vol.75
, pp. 173-194
-
-
Dolg, M.1
Stoll, H.2
Savin, A.3
Preuss, H.4
-
9
-
-
0031285825
-
-
K. Eichkorn, F. Weigend, O. Treutler and R. Ahlrichs, Theor. Chem. Acc., 1997, 97(1-4), 119-124.
-
(1997)
Theor. Chem. Acc.
, vol.97
, Issue.1-4
, pp. 119-124
-
-
Eichkorn, K.1
Weigend, F.2
Treutler, O.3
Ahlrichs, R.4
-
10
-
-
0040759177
-
-
F. Weigend, M. Häser, H. Patzelt and R. Ahlrichs, Chem. Phys. Lett., 1998, 294(1-3), 143-152.
-
(1998)
Chem. Phys. Lett.
, vol.294
, Issue.1-3
, pp. 143-152
-
-
Weigend, F.1
Häser, M.2
Patzelt, H.3
Ahlrichs, R.4
-
12
-
-
0347151609
-
-
K. A. Peterson, J. Chem. Phys., 2003, 119(21), 11099-11112.
-
(2003)
J. Chem. Phys.
, vol.119
, Issue.21
, pp. 11099-11112
-
-
Peterson, K.A.1
-
13
-
-
0346521279
-
-
K. A. Peterson, D. Figgen, E. Goll, H. Stoll and M. Dolg, J. Chem. Phys., 2003, 119, 11113-11123.
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 11113-11123
-
-
Peterson, K.A.1
Figgen, D.2
Goll, E.3
Stoll, H.4
Dolg, M.5
-
14
-
-
0034246653
-
-
B. Metz, H. Stoll and M. Dolg, J. Chem. Phys., 2000, 113, 2563-2569.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 2563-2569
-
-
Metz, B.1
Stoll, H.2
Dolg, M.3
-
15
-
-
26344435738
-
-
A. Schäfer, H. Horn and R. Ahlrichs, J. Chem. Phys., 1992, 97(4), 2571-2577.
-
(1992)
J. Chem. Phys.
, vol.97
, Issue.4
, pp. 2571-2577
-
-
Schäfer, A.1
Horn, H.2
Ahlrichs, R.3
-
16
-
-
0039209924
-
-
A. Schäfer, C. Huber and R. Ahlrichs, J. Chem. Phys., 1994, 100(8), 5829-5835.
-
(1994)
J. Chem. Phys.
, vol.100
, Issue.8
, pp. 5829-5835
-
-
Schäfer, A.1
Huber, C.2
Ahlrichs, R.3
-
17
-
-
0000617671
-
-
J. P. Blaudeau, S. R. Brozell, S. Matsika, Z. Zhang and R. M. Pitzer, Int. J. Quantum Chem., 2000, 77(2), 516-520.
-
(2000)
Int. J. Quantum Chem.
, vol.77
, Issue.2
, pp. 516-520
-
-
Blaudeau, J.P.1
Brozell, S.R.2
Matsika, S.3
Zhang, Z.4
Pitzer, R.M.5
-
18
-
-
26244433086
-
-
private communication
-
M. Dolg, private communication.
-
-
-
Dolg, M.1
-
24
-
-
0035366784
-
-
T. H. Dunning, K. A. Peterson and A. K. Wilson, J. Chem. Phys., 2001, 114(21), 9244-9253.
-
(2001)
J. Chem. Phys.
, vol.114
, Issue.21
, pp. 9244-9253
-
-
Dunning, T.H.1
Peterson, K.A.2
Wilson, A.K.3
-
25
-
-
0001242018
-
-
A. K. Wilson, D. E. Woon, K. A. Peterson and T. H. Dunning, J. Chem. Phys., 1999, 110(16), 7667-7676.
-
(1999)
J. Chem. Phys.
, vol.110
, Issue.16
, pp. 7667-7676
-
-
Wilson, A.K.1
Woon, D.E.2
Peterson, K.A.3
Dunning, T.H.4
-
26
-
-
26244451355
-
-
note
-
3.
-
-
-
-
27
-
-
26244468056
-
-
http://www.turbomole.de.
-
-
-
|