-
1
-
-
0001270577
-
-
Nelander, B.; Enghdahl, A.; Svensson, T. Chem. Phys. Lett. 2000, 332, 403.
-
(2000)
Chem. Phys. Lett
, vol.332
, pp. 403
-
-
Nelander, B.1
Enghdahl, A.2
Svensson, T.3
-
3
-
-
34250784450
-
-
Murray, C.; Derro, E. L.; Sechler, T. D.; Lester, M. I. J. Phys. Chem. A 2007, 111, 4727.
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 4727
-
-
Murray, C.1
Derro, E.L.2
Sechler, T.D.3
Lester, M.I.4
-
4
-
-
36649011966
-
-
Derro, E. L.; Murray, C.; Sechler, T. D.; Lester, M. I. J. Phys. Chem. A 2001, 111, 11592.
-
(2001)
J. Phys. Chem. A
, vol.111
, pp. 11592
-
-
Derro, E.L.1
Murray, C.2
Sechler, T.D.3
Lester, M.I.4
-
5
-
-
46149083993
-
-
Derro, E. L.; Sechler, T. D.; Murray, C.; Lester, M. I. J. Chem. Phys. 2008, 128, 244313.
-
(2008)
J. Chem. Phys
, vol.128
, pp. 244313
-
-
Derro, E.L.1
Sechler, T.D.2
Murray, C.3
Lester, M.I.4
-
6
-
-
54249140620
-
-
Derro, E. L.; Sechler, T. D.; Murray, C.; Lester, M. I. J. Phys. Chem. A 2008, 112, 9269.
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 9269
-
-
Derro, E.L.1
Sechler, T.D.2
Murray, C.3
Lester, M.I.4
-
7
-
-
21744442904
-
-
Suma, K.; Sumiyoshi, Y.; Endo, Y. Science 2005, 308, 1885.
-
(2005)
Science
, vol.308
, pp. 1885
-
-
Suma, K.1
Sumiyoshi, Y.2
Endo, Y.3
-
8
-
-
33746370721
-
-
Cooper, P. D.; Moore, M. H.; Hudson, R. L. J. Phys. Chem. A 2006, 110, 7985.
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 7985
-
-
Cooper, P.D.1
Moore, M.H.2
Hudson, R.L.3
-
9
-
-
34248635672
-
-
Zheng, W.; Jewitt, D.; Kaiser, R. I. Phys. Chem. Chem. Phys. 2007, 9, 2556.
-
(2007)
Phys. Chem. Chem. Phys
, vol.9
, pp. 2556
-
-
Zheng, W.1
Jewitt, D.2
Kaiser, R.I.3
-
12
-
-
0035837967
-
-
(a) Caridade, P.J.S.B.; Zhang, L.; Garrido, J. D.; Varandas, A. C. J. J. Phys. Chem. A. 2001, 105, 4395.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 4395
-
-
Caridade, P.J.S.B.1
Zhang, L.2
Garrido, J.D.3
Varandas, A.C.J.4
-
14
-
-
0141674530
-
-
Denis, P. A.; Kieninger, M.; Ventura, O. N.; Cachau, R. E.; Diercksen, G. H. F. Chem. Phys. Lett. 2003, 377, 483.
-
(2003)
Chem. Phys. Lett
, vol.377
, pp. 483
-
-
Denis, P.A.1
Kieninger, M.2
Ventura, O.N.3
Cachau, R.E.4
Diercksen, G.H.F.5
-
16
-
-
25144454952
-
-
Fabian, W. M. F.; Kalcher, J.; Janoschek, R. Theor. Chem. Acc. 2005, 114, 182.
-
(2005)
Theor. Chem. Acc
, vol.114
, pp. 182
-
-
Fabian, W.M.F.1
Kalcher, J.2
Janoschek, R.3
-
18
-
-
43049126774
-
-
Varner, M. E.; Harding, M. E.; Gauss, J.; Stanton, J. F. Chem. Phys. 2008, 344, 53.
-
(2008)
Chem. Phys
, vol.344
, pp. 53
-
-
Varner, M.E.1
Harding, M.E.2
Gauss, J.3
Stanton, J.F.4
-
19
-
-
0000657098
-
-
Setokuchi, O.; Sato, M.; Matuzawa, S. J. Phys. Chem. A 2000, 104, 3204.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 3204
-
-
Setokuchi, O.1
Sato, M.2
Matuzawa, S.3
-
20
-
-
36549102703
-
-
Dupuis, M.; Fitzgerald, G.; Hammond, B.; Lester, W. A.; Schaefer, H. F. J Chem. Phys. 1986, 84, 2691.
-
(1986)
J Chem. Phys
, vol.84
, pp. 2691
-
-
Dupuis, M.1
Fitzgerald, G.2
Hammond, B.3
Lester, W.A.4
Schaefer, H.F.5
-
21
-
-
0000037571
-
-
Vincent, M. A.; Hillier, I. H.; Burton, N. A. Chem. Phys. Lett. 1995, 233, 111.
-
(1995)
Chem. Phys. Lett
, vol.233
, pp. 111
-
-
Vincent, M.A.1
Hillier, I.H.2
Burton, N.A.3
-
27
-
-
35948996578
-
-
Monsergas, A.; Anglada, J. M.; Olivella, S.; Ruiz-Lopez, M. F.; Martins-Costa, M. Phys. Chem. Chem. Phys. 2007, 9, 5865.
-
(2007)
Phys. Chem. Chem. Phys
, vol.9
, pp. 5865
-
-
Monsergas, A.1
Anglada, J.M.2
Olivella, S.3
Ruiz-Lopez, M.F.4
Martins-Costa, M.5
-
28
-
-
33846123929
-
-
Yang, J.; Li, Q. S.; Zhang, S. Phys. Chem. Chem. Phys. 2007, 9, 466.
-
(2007)
Phys. Chem. Chem. Phys
, vol.9
, pp. 466
-
-
Yang, J.1
Li, Q.S.2
Zhang, S.3
-
30
-
-
0000993664
-
-
Ceotto, M.; Gianturco, F. A.; Hirst, D. H. J. Phys. Chem. 1999, A 103, 9984.
-
(1999)
J. Phys. Chem
, vol.A 103
, pp. 9984
-
-
Ceotto, M.1
Gianturco, F.A.2
Hirst, D.H.3
-
31
-
-
84961978274
-
-
Kraka, E.; Cremer, D.; Roller, J.; Plesnicar, B. J. Am. Chem. Soc. 2002, 124, 8462.
-
(2002)
J. Am. Chem. Soc
, vol.124
, pp. 8462
-
-
Kraka, E.1
Cremer, D.2
Roller, J.3
Plesnicar, B.4
-
32
-
-
0037468167
-
-
Elliot, B.; Alexandrova, A. N.; Boldyrev, A. I. J. Phys. Chem. A 2003, 107, 1203.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 1203
-
-
Elliot, B.1
Alexandrova, A.N.2
Boldyrev, A.I.3
-
33
-
-
0042208350
-
-
Wu, A.; Cremer, D.; Plesnicar, B. J Am. Chem. Soc. 2003, 125, 9395.
-
(2003)
J Am. Chem. Soc
, vol.125
, pp. 9395
-
-
Wu, A.1
Cremer, D.2
Plesnicar, B.3
-
34
-
-
84961980727
-
-
Plesnicar, B.; Cerkovnik, J.; Tuttle, T.; Kraka, E.; Cremer, D. J. Am. Chem. Soc. 2002, 124, 11260.
-
(2002)
J. Am. Chem. Soc
, vol.124
, pp. 11260
-
-
Plesnicar, B.1
Cerkovnik, J.2
Tuttle, T.3
Kraka, E.4
Cremer, D.5
-
36
-
-
62149089601
-
-
Xu, X.; Muller, R. P.; Goddard, W. A. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 3381.
-
(2002)
Proc. Natl. Acad. Sci. U.S.A
, vol.99
, pp. 3381
-
-
Xu, X.1
Muller, R.P.2
Goddard, W.A.3
-
37
-
-
27544495543
-
-
Hou, H.; Deng, L.; Li, J.; Wang, B. J. Phys. Chem. A 2005, 109, 9299.
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 9299
-
-
Hou, H.1
Deng, L.2
Li, J.3
Wang, B.4
-
40
-
-
52349108331
-
-
Kovacic, S.; Roller, J.; Cerkovnik, J.; Tuttle, T.; Plesnicar, B. J. Phys. Chem. A 2008, 112, 8129.
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 8129
-
-
Kovacic, S.1
Roller, J.2
Cerkovnik, J.3
Tuttle, T.4
Plesnicar, B.5
-
41
-
-
84962441560
-
-
Cerkovnik, J.; Erzen, E.; Roller, J.; Plesnicar, B. J. Am. Chem. Soc. 2001, 124, 404.
-
(2001)
J. Am. Chem. Soc
, vol.124
, pp. 404
-
-
Cerkovnik, J.1
Erzen, E.2
Roller, J.3
Plesnicar, B.4
-
42
-
-
0242333958
-
-
Wu, A.; Cremer, D.; Gauss, J. J. Phys. Chem. A 2003, 107, 8737.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 8737
-
-
Wu, A.1
Cremer, D.2
Gauss, J.3
-
44
-
-
27544464191
-
-
Suma, R.; Sumiyoshi, Y.; Endo, Y. J. Am. Chem. Soc. 2005, 127, 14998.
-
(2005)
J. Am. Chem. Soc
, vol.127
, pp. 14998
-
-
Suma, R.1
Sumiyoshi, Y.2
Endo, Y.3
-
45
-
-
0008702179
-
-
Fermann, J. T.; Hoffman, B. C.; Tschumper, G. S.; Schaefer, H. F. J. Chem. Phys. 1997, 106, 5102.
-
(1997)
J. Chem. Phys
, vol.106
, pp. 5102
-
-
Fermann, J.T.1
Hoffman, B.C.2
Tschumper, G.S.3
Schaefer, H.F.4
-
46
-
-
0742268294
-
-
Fitzgerald, G.; Lee, T. J.; Schaefer, H. F.; Bartlett, R. J. J. Chem. Phys. 1985, 83, 6275.
-
(1985)
J. Chem. Phys
, vol.83
, pp. 6275
-
-
Fitzgerald, G.1
Lee, T.J.2
Schaefer, H.F.3
Bartlett, R.J.4
-
48
-
-
0006244148
-
-
Raghavachari, R.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. H. Chem. Phys. Lett. 1989, 157, 479.
-
(1989)
Chem. Phys. Lett
, vol.157
, pp. 479
-
-
Raghavachari, R.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.H.4
-
49
-
-
45149135930
-
-
Bartlett, R. J.; Watts, J. D.; Rucharski, S. A.; Noga, J. Chem. Phys. Lett. 1990, 165, 513.
-
(1990)
Chem. Phys. Lett
, vol.165
, pp. 513
-
-
Bartlett, R.J.1
Watts, J.D.2
Rucharski, S.A.3
Noga, J.4
-
53
-
-
0345323016
-
-
Halkier, A.; Helgaker, T.; Jorgensen, P.; Klopper, W.; Roch, H.; Olsen, J.; Wilson, A. R. Chem. Phys. Lett. 1998, 286, 242.
-
(1998)
Chem. Phys. Lett
, vol.286
, pp. 242
-
-
Halkier, A.1
Helgaker, T.2
Jorgensen, P.3
Klopper, W.4
Roch, H.5
Olsen, J.6
Wilson, A.R.7
-
54
-
-
0010408411
-
-
Peterson, K. A.; Woon, D. E.; Dunning, T. H., Jr J. Chem. Phys. 1994, 100, 7410.
-
(1994)
J. Chem. Phys
, vol.100
, pp. 7410
-
-
Peterson, K.A.1
Woon, D.E.2
Dunning Jr, T.H.3
-
58
-
-
0035147918
-
-
De Jong, W. A.; Harrison, R. J.; Dixon, D. A. J. Chem. Phys. 2001, 114, 48.
-
(2001)
J. Chem. Phys
, vol.114
, pp. 48
-
-
De Jong, W.A.1
Harrison, R.J.2
Dixon, D.A.3
-
60
-
-
0001020621
-
-
(a) Tamassia, F.; Brown, J. M.; Saito, S. J. Chem. Phys. 2000, 112, 5523.
-
(2000)
J. Chem. Phys
, vol.112
, pp. 5523
-
-
Tamassia, F.1
Brown, J.M.2
Saito, S.3
-
61
-
-
62149110108
-
-
Stanton, J. F.; Gauss, J.; Watts, J. D.; Szalay, P. G.; Bartlett, R. J., with contributions from Auer, A. A.; Bernholdt, D. B.; Christiansen, O.; Harding, M. E.; Heckert, M.; Heun, O.; Huber, C.; Jonsson, D.; Jus61ius, J.; Lauderdale, W. J.; Metzrofh, T.; Michauk, C.; O'Neill, D. P.; Price, D. R.; Ruud, R.; Schiffmann, F.; Varner, M. E.; Vázquez, J. and the integral packages MOLECULE (Almlöf, J.; Taylor, P. R.), PROPS (Taylor, P. R.), and ABACUS (Helgaker, T.; Jensen, H. J. Aa.; Jørgensen, P.; Olsen, J.). For the current version, see http://www.aces2.de.
-
Stanton, J. F.; Gauss, J.; Watts, J. D.; Szalay, P. G.; Bartlett, R. J., with contributions from Auer, A. A.; Bernholdt, D. B.; Christiansen, O.; Harding, M. E.; Heckert, M.; Heun, O.; Huber, C.; Jonsson, D.; Jus61ius, J.; Lauderdale, W. J.; Metzrofh, T.; Michauk, C.; O'Neill, D. P.; Price, D. R.; Ruud, R.; Schiffmann, F.; Varner, M. E.; Vázquez, J. and the integral packages MOLECULE (Almlöf, J.; Taylor, P. R.), PROPS (Taylor, P. R.), and ABACUS (Helgaker, T.; Jensen, H. J. Aa.; Jørgensen, P.; Olsen, J.). For the current version, see http://www.aces2.de.
-
-
-
-
62
-
-
62149123761
-
-
Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 7/30/02, Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory: Richland, WA
-
Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 7/30/02, Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory: Richland, WA.
-
-
-
-
63
-
-
0001136801
-
-
Eds, Rao, R. N, Mathews, C. W, Eds, Academic Press: New York
-
Mills, I. In Molecular Spectroscopy: Modern Research; Eds.: Rao, R. N.; Mathews, C. W., Eds.; Academic Press: New York, 1972; p 115.
-
(1972)
Molecular Spectroscopy: Modern Research
, pp. 115
-
-
Mills, I.1
-
67
-
-
62149118722
-
-
Gaussian 98 Frisch, M. J. et al.; Gaussian, Inc.: Pittsburgh PA, 1998.
-
Gaussian 98 Frisch, M. J. et al.; Gaussian, Inc.: Pittsburgh PA, 1998.
-
-
-
-
68
-
-
57149144731
-
-
Feller, D.; Peterson, R. A.; Dixon, D. A. J. Chem. Phys. 2008, 129, 204105.
-
(2008)
J. Chem. Phys
, vol.129
, pp. 204105
-
-
Feller, D.1
Peterson, R.A.2
Dixon, D.A.3
-
69
-
-
0001468320
-
-
Bak, R. L.; Jorgensen, P.; Olsen, J.; Helgaker, T.; Gauss, J. Chem. Phys. Lett. 2000, 317, 116.
-
(2000)
Chem. Phys. Lett
, vol.317
, pp. 116
-
-
Bak, R.L.1
Jorgensen, P.2
Olsen, J.3
Helgaker, T.4
Gauss, J.5
-
70
-
-
0037470658
-
-
Ruden, T. A.; Helgaker, T.; Jorgensen, P.; Olsen, J. Chem. Phys. Lett. 2003, 371, 62.
-
(2003)
Chem. Phys. Lett
, vol.371
, pp. 62
-
-
Ruden, T.A.1
Helgaker, T.2
Jorgensen, P.3
Olsen, J.4
-
71
-
-
11044227833
-
-
Tajti, A.; Szalay, P. G.; Csaszar, A. G.; Rallay, M.; Gauss, J.; Valeev, E. F.; Flowers, B. A.; Vazquez, J.; Stanton, J. F. J. Chem. Phys. 2004, 121, 11599.
-
(2004)
J. Chem. Phys
, vol.121
, pp. 11599
-
-
Tajti, A.1
Szalay, P.G.2
Csaszar, A.G.3
Rallay, M.4
Gauss, J.5
Valeev, E.F.6
Flowers, B.A.7
Vazquez, J.8
Stanton, J.F.9
-
75
-
-
0037460552
-
-
Feller, D.; Peterson, R. A.; de Jong, W. A.; Dixon, D. A. J. Chem. Phys. 2003, 118, 3510.
-
(2003)
J. Chem. Phys
, vol.118
, pp. 3510
-
-
Feller, D.1
Peterson, R.A.2
de Jong, W.A.3
Dixon, D.A.4
-
78
-
-
33750004854
-
-
Karton, A.; Rabinovich, E.; Martin, J. M. L.; Ruscic, B. J. Chem. Phys. 2006, 125, 144108.
-
(2006)
J. Chem. Phys
, vol.125
, pp. 144108
-
-
Karton, A.1
Rabinovich, E.2
Martin, J.M.L.3
Ruscic, B.4
-
79
-
-
2342483850
-
-
Flowers, B. A.; Szalay, P. G.; Stanton, J. F.; Kallay, M.; Gauss, J.; Csaszar, A. G. J. Phys. Chem. A, 108, 3195.
-
J. Phys. Chem. A
, vol.108
, pp. 3195
-
-
Flowers, B.A.1
Szalay, P.G.2
Stanton, J.F.3
Kallay, M.4
Gauss, J.5
Csaszar, A.G.6
-
81
-
-
0037149752
-
-
Ruscic, B.; Wagner, A. F.; Harding, L. B.; Asher, R. L.; Feller, D.; Dixon, D. A.; Peterson, K. A.; Song, Y.; Qian, X.; Ng, C.-Y.; Liu, J.; Chen, W.; Schwenke, D. W. J. Phys. Chem. A 2002, 106, 2727.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 2727
-
-
Ruscic, B.1
Wagner, A.F.2
Harding, L.B.3
Asher, R.L.4
Feller, D.5
Dixon, D.A.6
Peterson, K.A.7
Song, Y.8
Qian, X.9
Ng, C.-Y.10
Liu, J.11
Chen, W.12
Schwenke, D.W.13
-
82
-
-
33745459479
-
-
Ruscic, B.; Pinzon, R. E.; Morton, M. L.; Srinivasan, N. R.; Su, M.-C.; Sutherland, J. W.; Michael, J. V. J. Phys. Chem. A 2006, 110, 6592.
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 6592
-
-
Ruscic, B.1
Pinzon, R.E.2
Morton, M.L.3
Srinivasan, N.R.4
Su, M.-C.5
Sutherland, J.W.6
Michael, J.V.7
-
84
-
-
0002114283
-
-
Pagsberg, P.; Ratajczak, E.; Sillesen, A.; Jodkowski, J. T. Chem. Phys. Lett. 1987, 141, 88.
-
(1987)
Chem. Phys. Lett
, vol.141
, pp. 88
-
-
Pagsberg, P.1
Ratajczak, E.2
Sillesen, A.3
Jodkowski, J.T.4
-
90
-
-
43549109433
-
-
Alves, T. V.; de Oliveira Filho, A. G. S.; Ornellas, F. R. Chem. Phys. Lett. 2008, 457, 36.
-
(2008)
Chem. Phys. Lett
, vol.457
, pp. 36
-
-
Alves, T.V.1
de Oliveira Filho, A.G.S.2
Ornellas, F.R.3
-
91
-
-
0344486432
-
-
Pelz, G.; Yamada, K. M. T.; Winnewisser, G. J. Mol. Spectrosc. 1993, 159, 507.
-
(1993)
J. Mol. Spectrosc
, vol.159
, pp. 507
-
-
Pelz, G.1
Yamada, K.M.T.2
Winnewisser, G.3
-
92
-
-
62149131900
-
-
webbook.nist.gov/Chemistry
-
webbook.nist.gov/Chemistry
-
-
-
-
94
-
-
62149083104
-
-
Personal communication. In the case where the SS CCSDTQ bond distance is increased by 0.003 Å
-
Feller, D. Personal communication. In the case where the SS CCSDTQ bond distance is increased by 0.003 Å.
-
-
-
Feller, D.1
-
95
-
-
0035870571
-
-
Bak, K. L.; Gauss, J.; Jorgensen, P.; Olsen, J.; Helgaker, T.; Stanton, J. F. J. Chem. Phys. 2001, 114, 6548.
-
(2001)
J. Chem. Phys
, vol.114
, pp. 6548
-
-
Bak, K.L.1
Gauss, J.2
Jorgensen, P.3
Olsen, J.4
Helgaker, T.5
Stanton, J.F.6
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