-
1
-
-
0041695576
-
-
H. J. Himmel, S. Konrad, W. Friedrichsen, and G. Rauhut, J. Phys. Chem. A 107 (2003) 6731.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 6731
-
-
Himmel, H.J.1
Konrad, S.2
Friedrichsen, W.3
Rauhut, G.4
-
3
-
-
0020843873
-
-
P. Pulay, G. Fogarasi, G. Pongor, J. E. Boggs, and A. Vargha, J. Am. Chem. Soc. 105 (1983) 7037.
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 7037
-
-
Pulay, P.1
Fogarasi, G.2
Pongor, G.3
Boggs, J.E.4
Vargha, A.5
-
4
-
-
0000339640
-
-
G. Fogarasi, X. Zhou, P. W. Taylor, and P. Pulay, J. Am. Chem. Soc. 114 (1992) 8191.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 8191
-
-
Fogarasi, G.1
Zhou, X.2
Taylor, P.W.3
Pulay, P.4
-
11
-
-
77953754266
-
-
J. M. Bowman, B. J. Braams, S. Carter, C. Chen, G. Czako, B. Fu, X. Huang, E. Kamarchik, A. R. Sharma, B. C. Shepler, et al., J. Chem. Phys. Lett 1 (2010) 1866.
-
(2010)
J. Chem. Phys. Lett
, vol.1
, pp. 1866
-
-
Bowman, J.M.1
Braams, B.J.2
Carter, S.3
Chen, C.4
Czako, G.5
Fu, B.6
Huang, X.7
Kamarchik, E.8
Sharma, A.R.9
Shepler, B.C.10
-
15
-
-
58149151249
-
-
J. Sielk, H. F. von Horsten, F. Krüger, R. Schneider, and B. Hartke, J. Chem. Phys. 11 (2009) 463.
-
(2009)
J. Chem. Phys.
, vol.11
, pp. 463
-
-
Sielk, J.1
Von Horsten, H.F.2
Krüger, F.3
Schneider, R.4
Hartke, B.5
-
16
-
-
0000761742
-
-
D.A.C. Jr.
-
D. A. C. Jr., W. D. Allen, R. B. Remington, Y. Yamaguchi, and H. F. Schaefer, Chem. Phys. 123 (1988) 187.
-
(1988)
Chem. Phys.
, vol.123
, pp. 187
-
-
Allen, W.D.1
Remington, R.B.2
Yamaguchi, Y.3
Schaefer, H.F.4
-
17
-
-
0000734732
-
-
H. Bürger, S. Ma, J. Breidung, and W. Thiel, J. Chem. Phys. 104 (1996) 4945.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 4945
-
-
Bürger, H.1
Ma, S.2
Breidung, J.3
Thiel, W.4
-
23
-
-
0001251624
-
-
R. D. Amos, N. C. Handy, W. H. Green, D. Jayatilaka, A. Willetts, and P. Palmieri, J. Chem. Phys. 95 (1991) 8323.
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 8323
-
-
Amos, R.D.1
Handy, N.C.2
Green, W.H.3
Jayatilaka, D.4
Willetts, A.5
Palmieri, P.6
-
24
-
-
36448998726
-
-
J. M. L. Martin, T. J. Lee, P. R. Taylor, and J.-P. Francois, J. Chem. Phys. 103 (1995) 2589.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 2589
-
-
Martin, J.M.L.1
Lee, T.J.2
Taylor, P.R.3
Francois, J.-P.4
-
29
-
-
77950101406
-
-
M. B. Hansen, M. Sparta, P. Seidler, and O. Christiansen, J. Chem. Theory Comput. 6 (2010) 235.
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 235
-
-
Hansen, M.B.1
Sparta, M.2
Seidler, P.3
Christiansen, O.4
-
41
-
-
84866943418
-
-
F. Richter, P. Carbonniere, A. Dargelos, and C. Pouchan, J. Chem. Phys. 136 (2012) 224105.
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 224105
-
-
Richter, F.1
Carbonniere, P.2
Dargelos, A.3
Pouchan, C.4
-
43
-
-
79951779500
-
-
M. Neff, T. Hrenar, D. Oschetzki, and G. Rauhut, J. Chem. Phys. 134 (2011) 064105.
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 064105
-
-
Neff, M.1
Hrenar, T.2
Oschetzki, D.3
Rauhut, G.4
-
46
-
-
26444466021
-
-
K. Pflüger, M. Paulus, S. Jagiella, T. Burkert, and G. Rauhut, Theor. Chem. Acc. 114 (2005) 327.
-
(2005)
Theor. Chem. Acc.
, vol.114
, pp. 327
-
-
Pflüger, K.1
Paulus, M.2
Jagiella, S.3
Burkert, T.4
Rauhut, G.5
-
48
-
-
77957965477
-
-
M. Sparta, M. B. Hansen, E. Matito, D. Toffoli, and O. Christiansen, J. Chem. Theory Comput. 6 (2010) 3162.
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 3162
-
-
Sparta, M.1
Hansen, M.B.2
Matito, E.3
Toffoli, D.4
Christiansen, O.5
-
49
-
-
34047165939
-
-
V. Rodriguez-Garcia, S. Hirata, K. Yagi, K. Hirao, T. Taketsugu, I. Schweigert, and M. Tasumi, J. Chem. Phys. 126 (2007) 124303.
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 124303
-
-
Rodriguez-Garcia, V.1
Hirata, S.2
Yagi, K.3
Hirao, K.4
Taketsugu, T.5
Schweigert, I.6
Tasumi, M.7
-
63
-
-
80054791987
-
-
D. M. Benoit, B. Madebene, I. Ulusoy, L. Mancera, Y. Scribano, and S. Chulkov, Beilstein J. Nanotechnol. 2 (2011) 427.
-
(2011)
Beilstein J. Nanotechnol.
, vol.2
, pp. 427
-
-
Benoit, D.M.1
Madebene, B.2
Ulusoy, I.3
Mancera, L.4
Scribano, Y.5
Chulkov, S.6
-
64
-
-
0003394271
-
-
H.-J. Werner, P. J. Knowles, R. Lindh, F. R. Manby, M. Schütz, et al., Molpro, development version 2012.2, a package of ab initio programs (2012), see http://www.molpro.net.
-
(2012)
Molpro, Development Version 2012.2, a Package of Ab Initio Programs
-
-
Werner, H.-J.1
Knowles, P.J.2
Lindh, R.3
Manby, F.R.4
Schütz, M.5
-
70
-
-
18744367836
-
-
N. Gohaud, D. Begue, C. Darrigan, and C. Pouchan, J. Comput. Chem. 26 (2005) 743.
-
(2005)
J. Comput. Chem.
, vol.26
, pp. 743
-
-
Gohaud, N.1
Begue, D.2
Darrigan, C.3
Pouchan, C.4
-
72
-
-
0007313155
-
-
V. Nagalakshmi, V. Lakshminarayana, G. Sumithra, and M. D. Prasad, Chem. Phys. Lett. 217 (1994) 279.
-
(1994)
Chem. Phys. Lett.
, vol.217
, pp. 279
-
-
Nagalakshmi, V.1
Lakshminarayana, V.2
Sumithra, G.3
Prasad, M.D.4
-
77
-
-
67650096484
-
-
K. Yagi, H. Karasawa, S. Hirata, and K. Hirao, Chem. Phys. Chem. 10 (2009) 1442.
-
(2009)
Chem. Phys. Chem.
, vol.10
, pp. 1442
-
-
Yagi, K.1
Karasawa, H.2
Hirata, S.3
Hirao, K.4
-
83
-
-
36049016396
-
-
D. Begue, N. Gohaud, C. Pouchan, P. Cassam-Chenai, and J. Lievin, J. Chem. Phys. 127 (2007) 164115.
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 164115
-
-
Begue, D.1
Gohaud, N.2
Pouchan, C.3
Cassam-Chenai, P.4
Lievin, J.5
-
86
-
-
84859527552
-
-
B. Thomson, M. B. Hansen, P. Seidler, and O. Christiansen, J. Chem. Phys. 136 (2012) 124101.
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 124101
-
-
Thomson, B.1
Hansen, M.B.2
Seidler, P.3
Christiansen, O.4
-
92
-
-
33749665411
-
-
H. D. Meyer, F. L. Quere, C. Leonard, and F. Gatti, Chem. Phys. 329 (2006) 179.
-
(2006)
Chem. Phys.
, vol.329
, pp. 179
-
-
Meyer, H.D.1
Quere, F.L.2
Leonard, C.3
Gatti, F.4
-
93
-
-
57649243953
-
-
L. J. Doriol, F. Gatti, C. Iung, and H. D. Meyer, J. Chem. Phys. 129 (2008) 224109.
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 224109
-
-
Doriol, L.J.1
Gatti, F.2
Iung, C.3
Meyer, H.D.4
-
98
-
-
36549097635
-
-
D. Reisner, R. Field, J. Kinsey, and H. Dai, J. Chem. Phys. 80 (1984) 5968.
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 5968
-
-
Reisner, D.1
Field, R.2
Kinsey, J.3
Dai, H.4
-
102
-
-
33745788568
-
-
V. Rodriguez-Garcia, K. Yagi, K. Hirao, S. Iwata, and S. Hirata, J. Chem. Phys. 125 (2006) 014109.
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 014109
-
-
Rodriguez-Garcia, V.1
Yagi, K.2
Hirao, K.3
Iwata, S.4
Hirata, S.5
-
104
-
-
18844401110
-
-
J. M. Luis, M. Torrent-Sucarrat, M. Sola, D. M. Bishop, and B. Kirtman, J. Chem. Phys. 122 (2005) 184104.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 184104
-
-
Luis, J.M.1
Torrent-Sucarrat, M.2
Sola, M.3
Bishop, D.M.4
Kirtman, B.5
-
111
-
-
77951134625
-
-
J. Huh, M. Neff, G. Rauhut, and R. Berger, Mol. Phys. 108 (2010) 409.
-
(2010)
Mol. Phys.
, vol.108
, pp. 409
-
-
Huh, J.1
Neff, M.2
Rauhut, G.3
Berger, R.4
|