-
1
-
-
0000600475
-
-
0040-5744 10.1007/BF00527669.
-
W. Kutzelnigg, Theor. Chim. Acta 0040-5744 10.1007/BF00527669 68, 445 (1985).
-
(1985)
Theor. Chim. Acta
, vol.68
, pp. 445
-
-
Kutzelnigg, W.1
-
6
-
-
3042549570
-
-
0021-9606 10.1063/1.1742904.
-
W. Klopper, J. Chem. Phys. 0021-9606 10.1063/1.1742904 120, 10890 (2004).
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 10890
-
-
Klopper, W.1
-
7
-
-
5744249665
-
-
0009-2614 10.1016/j.cplett.2004.09.041.
-
S. Ten-no, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2004.09.041 398, 56 (2004).
-
(2004)
Chem. Phys. Lett.
, vol.398
, pp. 56
-
-
Ten-No, S.1
-
8
-
-
22844441145
-
-
1463-9076 10.1039/b507781h.
-
A. J. May, E. Valeev, R. Polly, and F. R. Manby, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b507781h 7, 2710 (2005).
-
(2005)
Phys. Chem. Chem. Phys.
, vol.7
, pp. 2710
-
-
May, A.J.1
Valeev, E.2
Polly, R.3
Manby, F.R.4
-
9
-
-
34547647924
-
-
0021-9606 10.1063/1.1999632.
-
D. P. Tew and W. Klopper, J. Chem. Phys. 0021-9606 10.1063/1.1999632 123, 074101 (2005).
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 074101
-
-
Tew, D.P.1
Klopper, W.2
-
10
-
-
0141956332
-
-
0021-9606 10.1063/1.1600431.
-
S. Ten-no and F. R. Manby, J. Chem. Phys. 0021-9606 10.1063/1.1600431 119, 5358 (2003).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 5358
-
-
Ten-No, S.1
Manby, F.R.2
-
11
-
-
0141453130
-
-
0021-9606 10.1063/1.1594713.
-
F. R. Manby, J. Chem. Phys. 0021-9606 10.1063/1.1594713 119, 4607 (2003).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 4607
-
-
Manby, F.R.1
-
12
-
-
4444367231
-
-
0009-2614 10.1016/j.cplett.2004.07.061.
-
E. F. Valeev, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2004.07.061 395, 190 (2004).
-
(2004)
Chem. Phys. Lett.
, vol.395
, pp. 190
-
-
Valeev, E.F.1
-
13
-
-
32044436959
-
-
0021-9606 10.1063/1.2150817.
-
H. -J. Werner and F. R. Manby, J. Chem. Phys. 0021-9606 10.1063/1.2150817 124, 054114 (2006).
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 054114
-
-
Werner, H.-J.1
Manby, F.R.2
-
14
-
-
34547853991
-
-
0021-9606 10.1063/1.2173247.
-
F. R. Manby, H. -J. Werner, T. B. Adler, and A. J. May, J. Chem. Phys. 0021-9606 10.1063/1.2173247 124, 094103 (2006).
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 094103
-
-
Manby, F.R.1
Werner, H.-J.2
Adler, T.B.3
May, A.J.4
-
15
-
-
51749086602
-
-
0021-9606 10.1063/1.2982419.
-
H. -J. Werner, J. Chem. Phys. 0021-9606 10.1063/1.2982419 129, 101103 (2008).
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 101103
-
-
Werner, H.-J.1
-
17
-
-
42449133459
-
-
0021-9606 10.1063/1.2889388.
-
G. Knizia and H. -J. Werner, J. Chem. Phys. 0021-9606 10.1063/1.2889388 128, 154103 (2008).
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 154103
-
-
Knizia, G.1
Werner, H.-J.2
-
19
-
-
36449003616
-
-
0021-9606 10.1063/1.468266.
-
J. Noga and W. Kutzelnigg, J. Chem. Phys. 0021-9606 10.1063/1.468266 101, 7738 (1994).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 7738
-
-
Noga, J.1
Kutzelnigg, W.2
-
21
-
-
0000313967
-
-
0009-2614 10.1016/S0009-2614(00)00600-X.
-
J. Noga and P. Valiron, Chem. Phys. Lett. 0009-2614 10.1016/S0009- 2614(00)00600-X 324, 166 (2000).
-
(2000)
Chem. Phys. Lett.
, vol.324
, pp. 166
-
-
Noga, J.1
Valiron, P.2
-
24
-
-
34147210792
-
-
1463-9076 10.1039/b617230j.
-
D. P. Tew, W. Klopper, C. Neiss, and C. Hättig, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b617230j 9, 1921 (2007).
-
(2007)
Phys. Chem. Chem. Phys.
, vol.9
, pp. 1921
-
-
Tew, D.P.1
Klopper, W.2
Neiss, C.3
Hättig, C.4
-
27
-
-
37249022012
-
-
1463-9076 10.1039/b713938a.
-
E. F. Valeev, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b713938a 10, 106 (2008).
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 106
-
-
Valeev, E.F.1
-
29
-
-
4143095330
-
-
0021-9606 10.1063/1.462569.
-
R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 0021-9606 10.1063/1.462569 96, 6796 (1992).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
31
-
-
33750993802
-
-
0044-8249 10.1002/ange.200602711.
-
F. Claeyssens, J. N. Harvey, F. R. Manby, R. A. Mata, A. J. Mulholland, K. E. Ranaghan, M. Schütz, S. Thiel, W. Thiel, and H.-J. Werner, Angew. Chem. 0044-8249 10.1002/ange.200602711 118, 7010 (2006).
-
(2006)
Angew. Chem.
, vol.118
, pp. 7010
-
-
Claeyssens, F.1
Harvey, J.N.2
Manby, F.R.3
Mata, R.A.4
Mulholland, A.J.5
Ranaghan, K.E.6
Schütz, M.7
Thiel, S.8
Thiel, W.9
Werner, H.-J.10
-
32
-
-
0001701339
-
-
0009-2614 10.1016/0009-2614(83)80703-9.
-
P. Pulay, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(83)80703-9 100, 151 (1983).
-
(1983)
Chem. Phys. Lett.
, vol.100
, pp. 151
-
-
Pulay, P.1
-
33
-
-
0002342415
-
-
0009-2614 10.1016/0009-2614(85)85003-X.
-
S. Saebø and P. Pulay, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(85)85003-X 113, 13 (1985).
-
(1985)
Chem. Phys. Lett.
, vol.113
, pp. 13
-
-
Saebø, S.1
Pulay, P.2
-
34
-
-
36549103461
-
-
0021-9606 10.1063/1.452293.
-
S. Saebø and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.452293 86, 914 (1987).
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 914
-
-
Saebø, S.1
Pulay, P.2
-
35
-
-
0000485335
-
-
0021-9606 10.1063/1.454111.
-
S. Saebø and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.454111 88, 1884 (1988).
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 1884
-
-
Saebø, S.1
Pulay, P.2
-
36
-
-
0001260286
-
-
0021-9606 10.1063/1.471289.
-
C. Hampel and H. -J. Werner, J. Chem. Phys. 0021-9606 10.1063/1.471289 104, 6286 (1996).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 6286
-
-
Hampel, C.1
Werner, H.-J.2
-
38
-
-
0038251898
-
-
0009-2614 10.1016/S0009-2614(00)00066-X.
-
M. Schütz and H. -J. Werner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(00)00066-X 318, 370 (2000).
-
(2000)
Chem. Phys. Lett.
, vol.318
, pp. 370
-
-
Schütz, M.1
Werner, H.-J.2
-
39
-
-
0037576213
-
-
0021-9606 10.1063/1.1323265.
-
M. Schütz, J. Chem. Phys. 0021-9606 10.1063/1.1323265 113, 9986 (2000).
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 9986
-
-
Schütz, M.1
-
40
-
-
0037618360
-
-
0021-9606 10.1063/1.1330207.
-
M. Schütz and H. -J. Werner, J. Chem. Phys. 0021-9606 10.1063/1.1330207 114, 661 (2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 661
-
-
Schütz, M.1
Werner, H.-J.2
-
41
-
-
0037157291
-
-
0021-9606 10.1063/1.1470497.
-
M. Schütz, J. Chem. Phys. 0021-9606 10.1063/1.1470497 116, 8772 (2002).
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 8772
-
-
Schütz, M.1
-
42
-
-
0036038045
-
-
1463-9076 10.1039/b203994j.
-
M. Schütz, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b203994j 4, 3941 (2002).
-
(2002)
Phys. Chem. Chem. Phys.
, vol.4
, pp. 3941
-
-
Schütz, M.1
-
44
-
-
3242693466
-
-
0021-9606 10.1063/1.1760747.
-
M. Schütz, H. -J. Werner, R. Lindh, and F. R. Manby, J. Chem. Phys. 0021-9606 10.1063/1.1760747 121, 737 (2004).
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 737
-
-
Schütz, M.1
Werner, H.-J.2
Lindh, R.3
Manby, F.R.4
-
45
-
-
0001362758
-
-
0009-2614 10.1016/0009-2614(91)90471-K.
-
W. Klopper, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(91)90471-K 186, 583 (1991).
-
(1991)
Chem. Phys. Lett.
, vol.186
, pp. 583
-
-
Klopper, W.1
-
46
-
-
3142753249
-
-
0021-9606 10.1063/1.456588.
-
J. Pipek and P. G. Mezey, J. Chem. Phys. 0021-9606 10.1063/1.456588 90, 4916 (1989).
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 4916
-
-
Pipek, J.1
Mezey, P.G.2
-
47
-
-
34250126673
-
-
0040-5744 10.1007/BF00526697.
-
P. Pulay and S. Saebø, Theor. Chim. Acta 0040-5744 10.1007/BF00526697 69, 357 (1986).
-
(1986)
Theor. Chim. Acta
, vol.69
, pp. 357
-
-
Pulay, P.1
Saebø, S.2
-
48
-
-
84913595295
-
-
0192-8651 10.1002/jcc.540140615.
-
J. W. Boughton and P. Pulay, J. Comput. Chem. 0192-8651 10.1002/jcc.540140615 14, 736 (1993).
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 736
-
-
Boughton, J.W.1
Pulay, P.2
-
49
-
-
38849155244
-
-
0026-8976 10.1080/00268970701628209.
-
R. Mata and H. -J. Werner, Mol. Phys. 0026-8976 10.1080/00268970701628209 105, 2753 (2007).
-
(2007)
Mol. Phys.
, vol.105
, pp. 2753
-
-
Mata, R.1
Werner, H.-J.2
-
50
-
-
59949105385
-
-
University of Wisconsin Report No. WIS-AF-13.
-
S. F. Boys and I. Shavitt, University of Wisconsin Report No. WIS-AF-13, 1959.
-
(1959)
-
-
Boys, S.F.1
Shavitt, I.2
-
51
-
-
36849099978
-
-
0021-9606 10.1063/1.1679012.
-
J. L. Whitten, J. Chem. Phys. 0021-9606 10.1063/1.1679012 58, 4496 (1973).
-
(1973)
J. Chem. Phys.
, vol.58
, pp. 4496
-
-
Whitten, J.L.1
-
55
-
-
0040759177
-
-
0009-2614 10.1016/S0009-2614(98)00862-8.
-
F. Weigend, M. Häser, H. Patzelt, and R. Ahlrichs, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(98)00862-8 294, 143 (1998).
-
(1998)
Chem. Phys. Lett.
, vol.294
, pp. 143
-
-
Weigend, F.1
Häser, M.2
Patzelt, H.3
Ahlrichs, R.4
-
57
-
-
0034301458
-
-
0021-9606 10.1063/1.1290013.
-
C. Hättig and F. Weigend, J. Chem. Phys. 0021-9606 10.1063/1.1290013 113, 5154 (2000).
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 5154
-
-
Hättig, C.1
Weigend, F.2
-
59
-
-
4544268839
-
-
0021-9606 10.1063/1.1780891.
-
A. J. May and F. R. Manby, J. Chem. Phys. 0021-9606 10.1063/1.1780891 121, 4479 (2004).
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 4479
-
-
May, A.J.1
Manby, F.R.2
-
60
-
-
0034658515
-
-
1463-9076 10.1039/b000027m.
-
B. I. Dunlap, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b000027m 2, 2113 (2000).
-
(2000)
Phys. Chem. Chem. Phys.
, vol.2
, pp. 2113
-
-
Dunlap, B.I.1
-
63
-
-
33746614482
-
-
0021-9606 10.1063/1.456153.
-
T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 10.1063/1.456153 90, 1007 (1989).
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007
-
-
Dunning Jr., T.H.1
-
64
-
-
10844224532
-
-
0026-8976 10.1080/0026897042000274801.
-
R. Polly, H. -J. Werner, F. R. Manby, and P. J. Knowles, Mol. Phys. 0026-8976 10.1080/0026897042000274801 102, 2311 (2004).
-
(2004)
Mol. Phys.
, vol.102
, pp. 2311
-
-
Polly, R.1
Werner, H.-J.2
Manby, F.R.3
Knowles, P.J.4
-
65
-
-
0036385792
-
-
1463-9076 10.1039/b204199
-
F. Weigend, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b204199p 4, 4285 (2002).
-
(2002)
Phys. Chem. Chem. Phys.
, vol.4
, pp. 4285
-
-
Weigend, F.1
-
67
-
-
0031285825
-
-
1432-881X 10.1007/s002140050244.
-
K. Eichkorn, F. Weigend, O. Treutler, and R. Ahlrichs, Theor. Chem. Acc. 1432-881X 10.1007/s002140050244 97, 119 (1997).
-
(1997)
Theor. Chem. Acc.
, vol.97
, pp. 119
-
-
Eichkorn, K.1
Weigend, F.2
Treutler, O.3
Ahlrichs, R.4
-
69
-
-
3743098842
-
-
0009-2614 10.1016/0009-2614(95)00838-U.
-
K. Eichkorn, O. Treutler, H. Öhm, M. Häser, and R. Ahlrichs, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00838-U 242, 652 (1995).
-
(1995)
Chem. Phys. Lett.
, vol.242
, pp. 652
-
-
Eichkorn, K.1
Treutler, O.2
Öhm, H.3
Häser, M.4
Ahlrichs, R.5
-
70
-
-
0346339719
-
-
0009-2614 10.1016/j.cplett.2003.11.080.
-
P. Deglmann, K. May, F. Furche, and R. Ahlrichs, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.11.080 384, 103 (2004).
-
(2004)
Chem. Phys. Lett.
, vol.384
, pp. 103
-
-
Deglmann, P.1
May, K.2
Furche, F.3
Ahlrichs, R.4
-
71
-
-
0036385792
-
-
1463-9076 10.1039/b204199
-
F. Weigend, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b204199p 4, 4285 (2002).
-
(2002)
Phys. Chem. Chem. Phys.
, vol.4
, pp. 4285
-
-
Weigend, F.1
-
74
-
-
33750989044
-
-
0021-9606 10.1063/1.2364487.
-
R. Mata and H. -J. Werner, J. Chem. Phys. 0021-9606 10.1063/1.2364487 125, 184110 (2006).
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 184110
-
-
Mata, R.1
Werner, H.-J.2
-
75
-
-
59949091108
-
-
MOLPRO, version 2008.1, a package of ab initio programs (2008), see.
-
H. -J. Werner, P.-J. Knowles, R. Lindh, F. R. Manby, M. Schütz, MOLPRO, version 2008.1, a package of ab initio programs (2008), see http://www.molpro.net.
-
-
-
Werner, H.-J.1
Knowles, P.-J.2
Lindh, R.3
Manby, F.R.4
Schütz, M.5
-
78
-
-
33744909883
-
-
1359-7345
-
S. J. Moss, I. Carletti, C. Olano, R. M. Sheridan, M. Ward, V. Math, M. Nur-E-Alam, A. F. Braa, M. Q. Zhang, P. F. Leadlay, C. Mendez, J. A. Salas, and B. Wilkinson, Chem. Commun. (Cambridge) 2006, 2341. 1359-7345
-
Chem. Commun. (Cambridge)
, vol.2006
, pp. 2341
-
-
Moss, S.J.1
Carletti, I.2
Olano, C.3
Sheridan, R.M.4
Ward, M.5
Math, V.6
Nur-E-Alam, M.7
Braa, A.F.8
Zhang, M.Q.9
Leadlay, P.F.10
Mendez, C.11
Salas, J.A.12
Wilkinson, B.13
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