-
1
-
-
65249096094
-
-
Zheng, J.; Zhao, Y.; Truhlar, D. G. J. Chem. Theory Comput. 2009, 5, 808
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 808
-
-
Zheng, J.1
Zhao, Y.2
Truhlar, D.G.3
-
2
-
-
34250345881
-
-
Zheng, J.; Zhao, Y.; Truhlar, D. G. J. Chem. Theory Comput 2007, 3, 569
-
(2007)
J. Chem. Theory Comput
, vol.3
, pp. 569
-
-
Zheng, J.1
Zhao, Y.2
Truhlar, D.G.3
-
3
-
-
58149147157
-
-
Karton, A.; Tarnopolsky, A.; Lamere, J.-F.; Schatz, G. C.; Martin, J. M. L. J. Phys. Chem. A 2008, 112, 12868
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 12868
-
-
Karton, A.1
Tarnopolsky, A.2
Lamere, J.-F.3
Schatz, G.C.4
Martin, J.M.L.5
-
4
-
-
41049111804
-
-
Harding, M. E.; Vázquez, J.; Ruscic, B.; Wilson, A. K.; Gauss, J.; Stanton, J. F. J. Chem. Phys. 2008, 128, 114111
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 114111
-
-
Harding, M.E.1
Vázquez, J.2
Ruscic, B.3
Wilson, A.K.4
Gauss, J.5
Stanton, J.F.6
-
13
-
-
30544447979
-
-
Kedžuch, S.; Milko, M.; Noga, J. Int. J. Quantum Chem. 2005, 105, 929
-
(2005)
Int. J. Quantum Chem.
, vol.105
, pp. 929
-
-
Kedžuch, S.1
Milko, M.2
Noga, J.3
-
15
-
-
22844441145
-
-
May, A. J.; Valeev, E. F.; Polly, R.; Manby, F. Phys. Chem. Chem. Phys. 2005, 7, 2710
-
(2005)
Phys. Chem. Chem. Phys.
, vol.7
, pp. 2710
-
-
May, A.J.1
Valeev, E.F.2
Polly, R.3
Manby, F.4
-
17
-
-
0000762903
-
-
Noga, J.; Kutzelnigg, W.; Klopper, W. Chem. Phys. Lett. 1992, 199, 497
-
(1992)
Chem. Phys. Lett.
, vol.199
, pp. 497
-
-
Noga, J.1
Kutzelnigg, W.2
Klopper, W.3
-
18
-
-
44949117536
-
-
Shiozaki, T.; Kamiya, M.; Hirata, S.; Valeev, E. F. Phys. Chem. Chem. Phys. 2008, 10, 3358
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 3358
-
-
Shiozaki, T.1
Kamiya, M.2
Hirata, S.3
Valeev, E.F.4
-
19
-
-
59949105902
-
-
Shiozaki, T.; Kamiya, M.; Hirata, S.; Valeev, E. F. J. Chem. Phys. 2009, 130, 054101
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 054101
-
-
Shiozaki, T.1
Kamiya, M.2
Hirata, S.3
Valeev, E.F.4
-
20
-
-
57149135964
-
-
Köhn, A.; Richings, G. W.; Tew, D. P. J. Chem. Phys. 2008, 129, 201103
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 201103
-
-
Köhn, A.1
Richings, G.W.2
Tew, D.P.3
-
21
-
-
22944452424
-
-
Fliegl, H.; Klopper, W.; Hättig, C. J. Chem. Phys. 2005, 122, 084107
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 084107
-
-
Fliegl, H.1
Klopper, W.2
Hättig, C.3
-
22
-
-
37149036190
-
-
Adler, T. B.; Knizia, G.; Werner, H.-J. J. Chem. Phys. 2007, 127, 221106
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 221106
-
-
Adler, T.B.1
Knizia, G.2
Werner, H.-J.3
-
26
-
-
59949093519
-
-
Knizia, G.; Adler, T. B.; Werner, H.-J. J. Chem. Phys. 2009, 130, 054104
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 054104
-
-
Knizia, G.1
Adler, T.B.2
Werner, H.-J.3
-
27
-
-
77953843697
-
-
Hättig, C.; Tew, D. P.; Köhn, A. J. Chem. Phys. 2010, 132, 231102
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 231102
-
-
Hättig, C.1
Tew, D.P.2
Köhn, A.3
-
33
-
-
79551634094
-
-
Shiozaki, T.; Knizia, G.; Werner, H.-J. J. Chem. Phys. 2011, 134, 034113
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 034113
-
-
Shiozaki, T.1
Knizia, G.2
Werner, H.-J.3
-
35
-
-
77953600587
-
-
Bischoff, F.; Valeev, E. F.; Klopper, W.; Janssen, C. J. Chem. Phys. 2010, 132, 214104
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 214104
-
-
Bischoff, F.1
Valeev, E.F.2
Klopper, W.3
Janssen, C.4
-
36
-
-
40149107023
-
-
Peterson, K. A.; Adler, T. B.; Werner, H.-J. J. Chem. Phys. 2008, 128, 084102
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 084102
-
-
Peterson, K.A.1
Adler, T.B.2
Werner, H.-J.3
-
38
-
-
84863393106
-
-
Peterson, K. A.; Krause, C.; Stoll, H.; Hill, J. G.; Werner, H.-J. Mol. Phys. 2011, 109, 2607
-
(2011)
Mol. Phys.
, vol.109
, pp. 2607
-
-
Peterson, K.A.1
Krause, C.2
Stoll, H.3
Hill, J.G.4
Werner, H.-J.5
-
40
-
-
4143095330
-
-
Kendall, R. A.; Dunning, T. H.; Harrison, R. J. 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
-
43
-
-
3242888386
-
-
version 3.0 alpha; Sandia National Laboratories: Livermore, CA, (accessed July 2012)
-
Janssen, C. L.; Nielsen, I. B.; Leininger, M. L.; Valeev, E. F.; Kenny, J. P.; Seidl, E. T. The Massively Parallel Quantum Chemistry Program (MPQC), version 3.0 alpha; Sandia National Laboratories: Livermore, CA, 2008. http://www.mpqc.org (accessed July 2012).
-
(2008)
The Massively Parallel Quantum Chemistry Program (MPQC)
-
-
Janssen, C.L.1
Nielsen, I.B.2
Leininger, M.L.3
Valeev, E.F.4
Kenny, J.P.5
Seidl, E.T.6
-
44
-
-
0003478982
-
-
1 st ed. Wiley: Chichester, U. K.
-
Helgaker, T.; Jørgensen, P.; Olsen, J. Modern Electronic Structure Theory, 1 st ed.; Wiley: Chichester, U. K., 2000.
-
(2000)
Modern Electronic Structure Theory
-
-
Helgaker, T.1
Jørgensen, P.2
Olsen, J.3
-
45
-
-
11044227833
-
-
Tajti, A.; Szalay, P.; Császár, A.; Kállay, M.; Gauss, J.; Valeev, E.; Flowers, B.; Vázquez, J.; Stanton, J. J. Chem. Phys. 2004, 121, 11599
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 11599
-
-
Tajti, A.1
Szalay, P.2
Császár, A.3
Kállay, M.4
Gauss, J.5
Valeev, E.6
Flowers, B.7
Vázquez, J.8
Stanton, J.9
-
47
-
-
69549118201
-
-
Bokhan, D.; Bernadotte, S.; Ten-no, S. J. Chem. Phys. 2009, 131, 084105
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 084105
-
-
Bokhan, D.1
Bernadotte, S.2
Ten-No, S.3
-
48
-
-
78650900319
-
-
Huang, X.; Valeev, E. F.; Lee, T. J. J. Chem. Phys. 2010, 133, 244108
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 244108
-
-
Huang, X.1
Valeev, E.F.2
Lee, T.J.3
-
53
-
-
0035366784
-
-
Dunning, T. H.; Peterson, K. A.; Wilson, A. K. J. Chem. Phys. 2001, 114, 9244
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 9244
-
-
Dunning, T.H.1
Peterson, K.A.2
Wilson, A.K.3
-
57
-
-
76349116818
-
-
Hill, J. G.; Mazumder, S.; Peterson, K. A. J. Chem. Phys. 2010, 132, 054108
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 054108
-
-
Hill, J.G.1
Mazumder, S.2
Peterson, K.A.3
-
58
-
-
34248403050
-
-
Crawford, T. D.; Sherrill, C. D.; Valeev, E. F.; Fermann, J. T.; King, R. A.; Leininger, M. L.; Brown, S. T.; Janssen, C. L.; Seidl, E. T.; Kenny, J. P.; Allen, W. D. J. Comput. Chem. 2007, 28, 1610
-
(2007)
J. Comput. Chem.
, vol.28
, pp. 1610
-
-
Crawford, T.D.1
Sherrill, C.D.2
Valeev, E.F.3
Fermann, J.T.4
King, R.A.5
Leininger, M.L.6
Brown, S.T.7
Janssen, C.L.8
Seidl, E.T.9
Kenny, J.P.10
Allen, W.D.11
-
59
-
-
0000724478
-
-
Helgaker, T.; Klopper, W.; Koch, H.; Noga, J. J. Chem. Phys. 1997, 106, 9639
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 9639
-
-
Helgaker, T.1
Klopper, W.2
Koch, H.3
Noga, J.4
-
61
-
-
68249140068
-
-
Bischoff, F. A.; Wolfsegger, S.; Tew, D. P.; Klopper, W. Mol. Phys. 2009, 107, 963
-
(2009)
Mol. Phys.
, vol.107
, pp. 963
-
-
Bischoff, F.A.1
Wolfsegger, S.2
Tew, D.P.3
Klopper, W.4
|