-
1
-
-
0000628471
-
-
P. Hobza, H. L. Selzle and E. W. Schlag, J. Am. Chem. Soc., 1994, 116, 3500.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 3500
-
-
Hobza, P.1
Selzle, H.L.2
Schlag, E.W.3
-
2
-
-
0037721149
-
-
P. Hobza, H. L. Selzle and E. W. Schlag, J. Phys. Chem., 1996, 100, 18790.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 18790
-
-
Hobza, P.1
Selzle, H.L.2
Schlag, E.W.3
-
4
-
-
11744370264
-
-
P. Hobza, V. Špirko, H. L. Selzle and E. W. Schlag, J. Phys. Chem. A, 1998, 102, 2501.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 2501
-
-
Hobza, P.1
Špirko, V.2
Selzle, H.L.3
Schlag, E.W.4
-
5
-
-
0000712654
-
-
S. Tsuzuki, T. Uchimaru, K. Matsumura, M. Mikami and K. Tanabe, Chem. Phys. Lett., 2000, 319, 547.
-
(2000)
Chem. Phys. Lett.
, vol.319
, pp. 547
-
-
Tsuzuki, S.1
Uchimaru, T.2
Matsumura, K.3
Mikami, M.4
Tanabe, K.5
-
6
-
-
0037045235
-
-
S. Tsuzuki, K. Honda, T. Uchimaru, M. Mikami and K. Tanabe, J. Am. Chem. Soc., 2002, 124, 104.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 104
-
-
Tsuzuki, S.1
Honda, K.2
Uchimaru, T.3
Mikami, M.4
Tanabe, K.5
-
7
-
-
0037063502
-
-
M. O. Sinnokrot, E. F. Valeev and C. D. Sherrill, J. Am. Chem. Soc., 2002, 124, 10887.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 10887
-
-
Sinnokrot, M.O.1
Valeev, E.F.2
Sherrill, C.D.3
-
9
-
-
33645681255
-
-
O. A. Zhikol, O. V. Shishkin, K. A. Lyssenko and J. Leszczynski, J. Chem. Phys., 2005, 122, 144104.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 144104
-
-
Zhikol, O.A.1
Shishkin, O.V.2
Lyssenko, K.A.3
Leszczynski, J.4
-
10
-
-
33644897568
-
-
M. P. Waller, A. Robertazzi, J. A. Platts, D. E. Hibbs and P. A. Williams, J. Comput. Chem., 2006, 27, 491.
-
(2006)
J. Comput. Chem.
, vol.27
, pp. 491
-
-
Waller, M.P.1
Robertazzi, A.2
Platts, J.A.3
Hibbs, D.E.4
Williams, P.A.5
-
12
-
-
34547139114
-
-
A. Puzder, M. Dion and D. C. Langreth, J. Chem. Phys., 2006, 124, 164105.
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 164105
-
-
Puzder, A.1
Dion, M.2
Langreth, D.C.3
-
16
-
-
0025878347
-
-
C. A. Hunter, J. Singh and J. M. Thornton, J. Mol. Biol., 1991, 218, 837.
-
(1991)
J. Mol. Biol.
, vol.218
, pp. 837
-
-
Hunter, C.A.1
Singh, J.2
Thornton, J.M.3
-
17
-
-
0032546782
-
-
G. B. McGaughey, M. Gaene and A. K. Rappe, J. Biol. Chem., 1998, 273, 15458.
-
(1998)
J. Biol. Chem.
, vol.273
, pp. 15458
-
-
McGaughey, G.B.1
Gaene, M.2
Rappe, A.K.3
-
19
-
-
21144465987
-
-
W. Scherzer, O. Kratzschmar, H. L. Selzle and E. W. Schlag, Z. Naturforsch., A, 1992, 47, 1248.
-
(1992)
Z. Naturforsch., A
, vol.47
, pp. 1248
-
-
Scherzer, W.1
Kratzschmar, O.2
Selzle, H.L.3
Schlag, E.W.4
-
21
-
-
33646464890
-
-
Y. Zhao, N. E. Schultz and D. G. Truhlar, J. Chem. Theory Comput., 2006, 2, 364.
-
(2006)
J. Chem. Theory Comput.
, vol.2
, pp. 364
-
-
Zhao, Y.1
Schultz, N.E.2
Truhlar, D.G.3
-
24
-
-
22944489600
-
-
A. Heßelmann, G. Jansen and M. Schütz, J. Chem. Phys., 2005, 122, 014103.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 014103
-
-
Heßelmann, A.1
Jansen, G.2
Schütz, M.3
-
32
-
-
0442331866
-
-
M. Schütz, G. Rauhut and H.-J. Werner, J. Phys. Chem. A, 1998, 102, 5997.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 5997
-
-
Schütz, M.1
Rauhut, G.2
Werner, H.-J.3
-
33
-
-
0000458060
-
-
N. Runeberg, M. Schütz and H.-J. Werner, J. Chem. Phys., 1999, 110, 7210.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 7210
-
-
Runeberg, N.1
Schütz, M.2
Werner, H.-J.3
-
34
-
-
0346498124
-
-
M. Schütz, G. Hetzer and H.-J. Werner, J. Chem. Phys., 1999, 111, 5691-5705.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 5691-5705
-
-
Schütz, M.1
Hetzer, G.2
Werner, H.-J.3
-
35
-
-
0034510366
-
-
G. Hetzer, M. Schütz, H. Stoll and H.-J. Werner, J. Chem. Phys., 2000, 113, 9443-9455.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 9443-9455
-
-
Hetzer, G.1
Schütz, M.2
Stoll, H.3
Werner, H.-J.4
-
39
-
-
20344365516
-
-
O. Vahtras, J. Almlöf and M. W. Feyereisen, Chem. Phys. Lett., 1993, 213, 514.
-
(1993)
Chem. Phys. Lett.
, vol.213
, pp. 514
-
-
Vahtras, O.1
Almlöf, J.2
Feyereisen, M.W.3
-
40
-
-
0038137433
-
-
H.-J. Werner, F. R. Manby and P. J. Knowles, J. Chem. Phys., 2003, 118, 8149.
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 8149
-
-
Werner, H.-J.1
Manby, F.R.2
Knowles, P.J.3
-
42
-
-
10844224532
-
-
R. Polly, H.-J. Werner, F. R. Manby and P. J. Knowles, Mol. Phys., 2004, 102, 2311.
-
(2004)
Mol. Phys.
, vol.102
, pp. 2311
-
-
Polly, R.1
Werner, H.-J.2
Manby, F.R.3
Knowles, P.J.4
-
43
-
-
33747615553
-
-
a package of ab initio programs
-
H.-J. Werner, P. J. Knowles, R. Lindh, F. R. Manby, M. Schütz, P. Celani, T. Korona, G. Rauhut, R. D. Amos, A. Bernhardsson, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, A. W. Lloyd, S. J. McNicholas, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni and T. Thorsteinsson, MOLPRO, version 2006.1, a package of ab initio programs, see http://www.molpro.net.
-
MOLPRO, Version 2006.1
-
-
Werner, H.-J.1
Knowles, P.J.2
Lindh, R.3
Manby, F.R.4
Schütz, M.5
Celani, P.6
Korona, T.7
Rauhut, G.8
Amos, R.D.9
Bernhardsson, A.10
Berning, A.11
Cooper, D.L.12
Deegan, M.J.O.13
Dobbyn, A.J.14
Eckert, F.15
Hampel, C.16
Hetzer, G.17
Lloyd, A.W.18
McNicholas, S.J.19
Meyer, W.20
Mura, M.E.21
Nicklass, A.22
Palmieri, P.23
Pitzer, R.24
Schumann, U.25
Stoll, H.26
Stone, A.J.27
Tarroni, R.28
Thorsteinsson, T.29
more..
-
46
-
-
4143095330
-
-
R. A. Kendall, T. H. Dunning and R. J. Harrison, J. Chem. Phys., 1992, 96, 6796.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning, T.H.2
Harrison, R.J.3
-
47
-
-
0037154597
-
-
F. Weigend, A. Köhn and C. Hättig, J. Chem. Phys., 2002, 116, 3175.
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 3175
-
-
Weigend, F.1
Köhn, A.2
Hättig, C.3
-
51
-
-
0032568741
-
-
G. Hetzer, P. Pulay and H.-J. Werner, Chem. Phys. Lett., 1998, 290, 143.
-
(1998)
Chem. Phys. Lett.
, vol.290
, pp. 143
-
-
Hetzer, G.1
Pulay, P.2
Werner, H.-J.3
-
52
-
-
33845283102
-
-
J. R. Grover, E. A. Walters and E. T. Hui, J. Phys. Chem., 1987, 91, 3233.
-
(1987)
J. Phys. Chem.
, vol.91
, pp. 3233
-
-
Grover, J.R.1
Walters, E.A.2
Hui, E.T.3
-
53
-
-
33845752777
-
-
T. Helgaker, W. Klopper, H. Koch and J. Noga, J. Chem. Phys., 1997, 106, 9638.
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 9638
-
-
Helgaker, T.1
Klopper, W.2
Koch, H.3
Noga, J.4
-
54
-
-
0032502389
-
-
A. Halkier, T. Helgaker, P. Jørgensen, W. Klopper, H. Koch, J. Olsen and A. K. Wilson, Chem. Phys. Lett., 1998, 286, 243.
-
(1998)
Chem. Phys. Lett.
, vol.286
, pp. 243
-
-
Halkier, A.1
Helgaker, T.2
Jørgensen, P.3
Klopper, W.4
Koch, H.5
Olsen, J.6
Wilson, A.K.7
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