-
1
-
-
0037054682
-
-
J. Kongsted, A. Osted, K. V. Mikkelsen, O. Christiansen, Mol. Phys. 2002, 100, 1813.
-
(2002)
Mol. Phys.
, vol.100
, pp. 1813
-
-
Kongsted, J.1
Osted, A.2
Mikkelsen, K.V.3
Christiansen, O.4
-
2
-
-
0037431236
-
-
J. Kongsted, A. Osted, K. V. Mikkelsen, O. Christiansen, J. Phys. Chem. A 2003, 107, 2578.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 2578
-
-
Kongsted, J.1
Osted, A.2
Mikkelsen, K.V.3
Christiansen, O.4
-
3
-
-
0037460275
-
-
J. Kongsted, A. Osted, K. V. Mikkelsen, O. Christiansen, J. Chem. Phys. 2003, 118, 1620.
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 1620
-
-
Kongsted, J.1
Osted, A.2
Mikkelsen, K.V.3
Christiansen, O.4
-
4
-
-
34247378247
-
-
C. B. Nielsen, O. Christiansen, K. V. Mikkelsen, J. Kongsted, J. Chem. Phys. 2007, 126, 154112.
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 154112
-
-
Nielsen, C.B.1
Christiansen, O.2
Mikkelsen, K.V.3
Kongsted, J.4
-
5
-
-
79952676386
-
-
K. Sneskov, T. Schwabe, J. Kongsted, O. Christiansen, J. Chem. Phys. 2011, 134, 104108.
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 104108
-
-
Sneskov, K.1
Schwabe, T.2
Kongsted, J.3
Christiansen, O.4
-
6
-
-
80054043063
-
-
K. Sneskov, T. Schwabe, O. Christiansen, J. Kongsted, Phys. Chem. Chem. Phys. 2011, 13, 18551.
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 18551
-
-
Sneskov, K.1
Schwabe, T.2
Christiansen, O.3
Kongsted, J.4
-
10
-
-
48749088373
-
-
S. Fux, K. Kiewisch, C. R. Jacob, J. Neugebauer, M. Reiher, Chem. Phys. Lett. 2008, 461, 353.
-
(2008)
Chem. Phys. Lett.
, vol.461
, pp. 353
-
-
Fux, S.1
Kiewisch, K.2
Jacob, C.R.3
Neugebauer, J.4
Reiher, M.5
-
11
-
-
73449088765
-
-
O. Roncero, A. Zanchet, P. Villarreal, A. Aguado, J. Chem. Phys. 2009, 131, 234110.
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 234110
-
-
Roncero, O.1
Zanchet, A.2
Villarreal, P.3
Aguado, A.4
-
13
-
-
84865073561
-
-
F. R. Manby, M. Stella, J. D. Goodpaster, T. F. Miller, J. Chem. Theory Comput. 2012, 8, 2564-2568.
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 2564-2568
-
-
Manby, F.R.1
Stella, M.2
Goodpaster, J.D.3
Miller, T.F.4
-
14
-
-
79955460609
-
-
C. Huang, M. Pavone, E. A. Carter, J. Chem. Phys. 2011, 134, 154110.
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 154110
-
-
Huang, C.1
Pavone, M.2
Carter, E.A.3
-
16
-
-
10844225583
-
-
O. Christiansen, H. Koch, P. Jørgensen, Chem. Phys. Lett. 1995, 243, 409.
-
(1995)
Chem. Phys. Lett.
, vol.243
, pp. 409
-
-
Christiansen, O.1
Koch, H.2
Jørgensen, P.3
-
18
-
-
0038023343
-
-
E. Baerends, D. Ellis, P. Ros, Chem. Phys. 1973, 2, 41.
-
(1973)
Chem. Phys.
, vol.2
, pp. 41
-
-
Baerends, E.1
Ellis, D.2
Ros, P.3
-
19
-
-
36749106524
-
-
B. I. Dunlap, J. W. D. Connolly, J. R. Sabin, J. Chem. Phys. 1979, 71, 3396.
-
(1979)
J. Chem. Phys.
, vol.71
, pp. 3396
-
-
Dunlap, B.I.1
Connolly, J.W.D.2
Sabin, J.R.3
-
20
-
-
20344365516
-
-
O. Vahtras, J. Almlöf, M. Feyereisen, Chem. Phys. Lett. 1993, 213, 514.
-
(1993)
Chem. Phys. Lett.
, vol.213
, pp. 514
-
-
Vahtras, O.1
Almlöf, J.2
Feyereisen, M.3
-
21
-
-
22944484208
-
-
K. Eichkorn, O. Treutler, H. Öhm, M. Häser, R. Ahlrichs, Chem. Phys. Lett. 1995, 240, 283.
-
(1995)
Chem. Phys. Lett.
, vol.240
, pp. 283
-
-
Eichkorn, K.1
Treutler, O.2
Öhm, H.3
Häser, M.4
Ahlrichs, R.5
-
23
-
-
84255176470
-
-
D. H. Friese, C. Hättig, K. Ruud, Phys. Chem. Chem. Phys. 2012, 14, 1175.
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 1175
-
-
Friese, D.H.1
Hättig, C.2
Ruud, K.3
-
24
-
-
47349113219
-
-
F. Aquilante, T. B. Pedersen, R. Lindh, B. O. Roos, A. Sanchez de Meras, H. Koch, J. Chem. Phys. 2008, 129, 024113.
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 024113
-
-
Aquilante, F.1
Pedersen, T.B.2
Lindh, R.3
Roos, B.O.4
Sanchez De Meras, A.5
Koch, H.6
-
25
-
-
33947546317
-
-
A. Hellweg, C. Hättig, S. Höfener, W. Klopper, Theor. Chem. Acc. 2007, 117, 587.
-
(2007)
Theor. Chem. Acc.
, vol.117
, pp. 587
-
-
Hellweg, A.1
Hättig, C.2
Höfener, S.3
Klopper, W.4
-
28
-
-
0038617492
-
-
M. Sierka, A. Hogekamp, R. Ahlrichs, J. Chem. Phys. 2003, 118, 9136.
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 9136
-
-
Sierka, M.1
Hogekamp, A.2
Ahlrichs, R.3
-
33
-
-
22944484095
-
-
J. Neugebauer, M. J. Louwerse, E. J. Baerends, T. A. Wesolowski, J. Chem. Phys. 2005, 122, 094115.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 094115
-
-
Neugebauer, J.1
Louwerse, M.J.2
Baerends, E.J.3
Wesolowski, T.A.4
-
34
-
-
24944551998
-
-
J. Neugebauer, C. R. Jacob, T. A. Wesolowski, E. J. Baerends, J. Phys. Chem. A 2005, 109, 7805.
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 7805
-
-
Neugebauer, J.1
Jacob, C.R.2
Wesolowski, T.A.3
Baerends, E.J.4
-
38
-
-
41649115060
-
-
C. R. Jacob, J. Neugebauer, L. Visscher, J. Comput. Chem. 2008, 29, 1011.
-
(2008)
J. Comput. Chem.
, vol.29
, pp. 1011
-
-
Jacob, C.R.1
Neugebauer, J.2
Visscher, L.3
-
39
-
-
50849112048
-
-
A. S. P. Gomes, C. R. Jacob, L. Visscher, Phys. Chem. Chem. Phys. 2008, 10, 5353.
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 5353
-
-
Gomes, A.S.P.1
Jacob, C.R.2
Visscher, L.3
-
40
-
-
78149393478
-
-
S. Laricchia, E. Fabiano, F. Della Sala, J. Chem. Phys. 2010, 133, 164111.
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 164111
-
-
Laricchia, S.1
Fabiano, E.2
Della Sala, F.3
-
42
-
-
30744460612
-
-
R. Kevorkyants, M. Dulak, T. A. Wesolowski, J. Chem. Phys. 2006, 124, 024104.
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 024104
-
-
Kevorkyants, R.1
Dulak, M.2
Wesolowski, T.A.3
-
43
-
-
33644989548
-
-
M. Iannuzzi, B. Kirchner, J. Hutter, Chem. Phys. Lett. 2006, 421, 16.
-
(2006)
Chem. Phys. Lett.
, vol.421
, pp. 16
-
-
Iannuzzi, M.1
Kirchner, B.2
Hutter, J.3
-
45
-
-
84882453706
-
-
R. H. Myhre, A. M. J. Sanches de Meras, H. Koch, Mol. Phys. 2013, 111, 1109.
-
(2013)
Mol. Phys.
, vol.111
, pp. 1109
-
-
Myhre, R.H.1
Sanches De Meras, A.M.J.2
Koch, H.3
-
46
-
-
77953035615
-
-
A. M. J. Sanchez de Meras, H. Koch, I. G. Cuesta, L. Boman, J. Chem. Phys. 2010, 132, 204105.
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 204105
-
-
Sanchez De Meras, A.M.J.1
Koch, H.2
Cuesta, I.G.3
Boman, L.4
-
52
-
-
84860493751
-
-
S. Höfener, A. S. P. Gomes, L. Visscher, J. Chem. Phys. 2012, 136, 044104.
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 044104
-
-
Höfener, S.1
Gomes, A.S.P.2
Visscher, L.3
-
53
-
-
84903372659
-
-
S. Höfener, A. S. P. Gomes, L. Visscher, J. Chem. Phys. 2013, 139, 104106.
-
(2013)
J. Chem. Phys.
, vol.139
, pp. 104106
-
-
Höfener, S.1
Gomes, A.S.P.2
Visscher, L.3
-
55
-
-
4243539377
-
-
R. Ahlrichs, M. Bär, M. Häser, H. Horn, C. Kölmel, Chem. Phys. Lett. 1989, 162, 165.
-
(1989)
Chem. Phys. Lett.
, vol.162
, pp. 165
-
-
Ahlrichs, R.1
Bär, M.2
Häser, M.3
Horn, H.4
Kölmel, C.5
-
56
-
-
84866148219
-
-
T. Schwabe, K. Sneskov, J. M. Haugaard Olsen, J. Kongsted, O. Christiansen, C. Hättig, J. Chem. Theory Comput. 2012, 8, 3274.
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 3274
-
-
Schwabe, T.1
Sneskov, K.2
Haugaard Olsen, J.M.3
Kongsted, J.4
Christiansen, O.5
Hättig, C.6
-
58
-
-
59349105675
-
-
F. Neese, F. Wennmohs, A. Hansen, U. Becker, Chem. Phys. 2009, 356, 98.
-
(2009)
Chem. Phys.
, vol.356
, pp. 98
-
-
Neese, F.1
Wennmohs, F.2
Hansen, A.3
Becker, U.4
-
61
-
-
84904765115
-
-
Private communication
-
T. Schwabe, Private communication, 2013.
-
(2013)
-
-
Schwabe, T.1
-
63
-
-
0040759177
-
-
F. Weigend, M. Häser, H. Patzelt, R. Ahlrichs, Chem. Phys. Lett. 1998, 294, 143.
-
(1998)
Chem. Phys. Lett.
, vol.294
, pp. 143
-
-
Weigend, F.1
Häser, M.2
Patzelt, H.3
Ahlrichs, R.4
-
64
-
-
4243943295
-
-
J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 1996, 77, 3865.
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
69
-
-
78650624805
-
-
U. Ekström, L. Visscher, R. Bast, A. J. Thorvaldsen, K. Ruud, J. Chem. Theor. Comput. 2010, 6, 1971.
-
(2010)
J. Chem. Theor. Comput.
, vol.6
, pp. 1971
-
-
Ekström, U.1
Visscher, L.2
Bast, R.3
Thorvaldsen, A.J.4
Ruud, K.5
-
70
-
-
84962419475
-
-
J. M. Olsen, K. Aidas, K. V. Mikkelsen, J. Kongsted, J. Chem. Theory Comput. 2010, 6, 249.
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 249
-
-
Olsen, J.M.1
Aidas, K.2
Mikkelsen, K.V.3
Kongsted, J.4
-
71
-
-
79960276255
-
-
T. Schwabe, J. M. H. Olsen, K. Sneskov, J. Kongsted, O. Christiansen, J. Chem. Theory Comput. 2011, 7, 2209.
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 2209
-
-
Schwabe, T.1
Olsen, J.M.H.2
Sneskov, K.3
Kongsted, J.4
Christiansen, O.5
-
73
-
-
33947334014
-
-
H. Baba, L. Goodman, P. C. Valenti, J. Am. Chem. Soc. 1966, 88, 5410.
-
(1966)
J. Am. Chem. Soc.
, vol.88
, pp. 5410
-
-
Baba, H.1
Goodman, L.2
Valenti, P.C.3
|