-
2
-
-
33845931953
-
-
Pickett, L. W.; Hoeflich, N. J.; Liu, T. C. J. Am. Chem. Soc. 1951, 73, 4865-4869.
-
(1951)
J. Am. Chem. Soc.
, vol.73
, pp. 4865-4869
-
-
Pickett, L.W.1
Hoeflich, N.J.2
Liu, T.C.3
-
5
-
-
0001519146
-
-
Derrick, P. J.; Asbring, L.; Edqvist, O.; Jonsson, B. O.; Lindholm, E. Int. J. Mass Spectrom. Ion Phys. 1971, 6, 161-175.
-
(1971)
Int. J. Mass Spectrom. Ion Phys.
, vol.6
, pp. 161-175
-
-
Derrick, P.J.1
Asbring, L.2
Edqvist, O.3
Jonsson, B.O.4
Lindholm, E.5
-
6
-
-
0001069768
-
-
Flicker, W. M.; Mosher, O. A.; Kupperman, A. Chem. Phys. Lett. 1976, 38, 489-492.
-
(1976)
Chem. Phys. Lett.
, vol.38
, pp. 489-492
-
-
Flicker, W.M.1
Mosher, O.A.2
Kupperman, A.3
-
7
-
-
0000764526
-
-
Flicker, W. M.; Mosher, O. A.; Kupperman, A. J. Chem. Phys. 1976, 64, 1315-1321.
-
(1976)
J. Chem. Phys.
, vol.64
, pp. 1315-1321
-
-
Flicker, W.M.1
Mosher, O.A.2
Kupperman, A.3
-
10
-
-
0001624207
-
-
Cooper, C. D., Williamson, A. D.; Miller, J. C.; Compton, R. N. J. Chem. Phys. 1980, 73, 1527-1537.
-
(1980)
J. Chem. Phys.
, vol.73
, pp. 1527-1537
-
-
Cooper, C.D.1
Williamson, A.D.2
Miller, J.C.3
Compton, R.N.4
-
11
-
-
85012546630
-
-
Roebber, J. L.; Gerrity, D. P.; Hemley, R.; Vaida, V. Chem. Phys. Lett. 1980, 75, 104-106.
-
(1980)
Chem. Phys. Lett.
, vol.75
, pp. 104-106
-
-
Roebber, J.L.1
Gerrity, D.P.2
Hemley, R.3
Vaida, V.4
-
13
-
-
21844523679
-
-
Palmer, M. H.; Walker, I. C.; Ballard, C. C.; Guest, M. F. Chem. Phys. 1995, 192, 111-125.
-
(1995)
Chem. Phys.
, vol.192
, pp. 111-125
-
-
Palmer, M.H.1
Walker, I.C.2
Ballard, C.C.3
Guest, M.F.4
-
14
-
-
0001357704
-
-
Thuneman, K. H.; Buenker, R. J.; Butscher, W. Chem. Phys. 1980, 47, 313-320.
-
(1980)
Chem. Phys.
, vol.47
, pp. 313-320
-
-
Thuneman, K.H.1
Buenker, R.J.2
Butscher, W.3
-
15
-
-
0000622317
-
-
Nakatsuji, H.; Kitao, O.; Yonezawa, T. J. Chem. Phys. 1985, 83, 723-724.
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 723-724
-
-
Nakatsuji, H.1
Kitao, O.2
Yonezawa, T.3
-
16
-
-
0001233345
-
-
Serrano-Andres, L.; Merchan, M.; Nebot-Gil, I.; Roos, B. O.; Fulscher, M. J. Am. Chem. Soc. 1993, 115, 6184-6197.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 6184-6197
-
-
Serrano-Andres, L.1
Merchan, M.2
Nebot-Gil, I.3
Roos, B.O.4
Fulscher, M.5
-
17
-
-
0000040112
-
-
Nakano, H.; Tsuneda, T.; Hashimoto, T.; Hirao, K. J. Chem. Phys. 1996, 104, 2312-2320.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 2312-2320
-
-
Nakano, H.1
Tsuneda, T.2
Hashimoto, T.3
Hirao, K.4
-
18
-
-
77954443001
-
-
Shepard, R.; Lischka, H.; Szalay, P. G.; Kovar, T.; Ernzerhof, M. J. Chem. Phys. 1992, 96, 2085-2098.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 2085-2098
-
-
Shepard, R.1
Lischka, H.2
Szalay, P.G.3
Kovar, T.4
Ernzerhof, M.5
-
21
-
-
0000165323
-
-
Bauschlicher, C. W.; Langhoff, S. R.; Taylor, P. R. Adv. Chem. Phys. 1990, 77, 103-161.
-
(1990)
Adv. Chem. Phys.
, vol.77
, pp. 103-161
-
-
Bauschlicher, C.W.1
Langhoff, S.R.2
Taylor, P.R.3
-
22
-
-
0013004607
-
-
Anderson, K.; Malmqvist, P. Å.; Roos, B. O.; Sadlej, A. J.; Wolinski, K. J. Phys. Chem. 1990, 94, 5483-5488.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5483-5488
-
-
Anderson, K.1
Malmqvist, P.Å.2
Roos, B.O.3
Sadlej, A.J.4
Wolinski, K.5
-
23
-
-
36448998619
-
-
Anderson, K.; Malmqvist, P. Å.; Roos, B. O. J. Chem. Phys. 1992, 96, 1218-1226.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 1218-1226
-
-
Anderson, K.1
Malmqvist, P.Å.2
Roos, B.O.3
-
24
-
-
0000119421
-
-
Olsen, J.; Christiansen, O.; Koch, H.; Jørgensen, J. J. Chem. Phys. 1996, 105, 5082-5090.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 5082-5090
-
-
Olsen, J.1
Christiansen, O.2
Koch, H.3
Jørgensen, J.4
-
25
-
-
16144366604
-
-
Christiansen, O.; Olsen, J.: Jørgensen, P.; Koch, H.; Malmqvist, P.-Å. Chem. Phys. Lett. 1996, 261, 369-378.
-
(1996)
Chem. Phys. Lett.
, vol.261
, pp. 369-378
-
-
Christiansen, O.1
Olsen, J.2
Jørgensen, P.3
Koch, H.4
Malmqvist, P.-Å.5
-
26
-
-
10844225583
-
-
Christiansen, O.; Koch, H.; Jørgensen, P. Chem. Phys. Lett. 1995, 243, 409-418.
-
(1995)
Chem. Phys. Lett.
, vol.243
, pp. 409-418
-
-
Christiansen, O.1
Koch, H.2
Jørgensen, P.3
-
27
-
-
0000298163
-
-
Koch, H.; Christiansen, O.; Jørgensen, P.: Sanchez de Meras, A.; Helgaker, T. J. Chem. Phys. 1997, 106, 1808-1818.
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 1808-1818
-
-
Koch, H.1
Christiansen, O.2
Jørgensen, P.3
Sanchez De Meras, A.4
Helgaker, T.5
-
28
-
-
36449002657
-
-
Christiansen, O.; Koch, H.; Jørgensen, P. J. Chem. Phys. 1995, 103, 7429-7441.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 7429-7441
-
-
Christiansen, O.1
Koch, H.2
Jørgensen, P.3
-
30
-
-
0000746810
-
-
Christiansen, O.; Koch, H.; Jørgensen, P. J. Chem. Phys. 1996, 105, 1451-1459.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 1451-1459
-
-
Christiansen, O.1
Koch, H.2
Jørgensen, P.3
-
31
-
-
58149324359
-
-
Koch, H.; Christiansen, O.; Jørgensen, P.; Olsen, J. Chem. Phys. Lett. 1994, 244, 75-82.
-
(1994)
Chem. Phys. Lett.
, vol.244
, pp. 75-82
-
-
Koch, H.1
Christiansen, O.2
Jørgensen, P.3
Olsen, J.4
-
32
-
-
0030167115
-
-
Christiansen, O.; Koch, H.; Jørgensen, P.; Olsen, J. Chem. Phys. Lett. 1996, 256, 185-194.
-
(1996)
Chem. Phys. Lett.
, vol.256
, pp. 185-194
-
-
Christiansen, O.1
Koch, H.2
Jørgensen, P.3
Olsen, J.4
-
33
-
-
0001195357
-
-
Christiansen, O.; Koch, H.; Halkier, A.; Jørgensen, P.; Helgaker, T.; Sanchez de Meras, A. J. Chem. Phys. 1996, 105, 6921-6939.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 6921-6939
-
-
Christiansen, O.1
Koch, H.2
Halkier, A.3
Jørgensen, P.4
Helgaker, T.5
Sanchez De Meras, A.6
-
34
-
-
0006244148
-
-
Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479-483.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479-483
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
35
-
-
0003622711
-
-
Roos, B. O., Ed.; Springer-Verlag: Berlin
-
Taylor, P. R. In Lecture notes in Quantum Chemistry, European summer School in quantum chemistry; Roos, B. O., Ed.; Springer-Verlag: Berlin, 1992; pp 325-412. Taylor, P. R. In Lecture notes in Quantum Chemistry, European summer School in quantum chemistry; Roos, B. O., Ed.; Springer-Verlag: Berlin, 1994.
-
(1992)
Lecture Notes in Quantum Chemistry, European Summer School in Quantum Chemistry
, pp. 325-412
-
-
Taylor, P.R.1
-
36
-
-
0003622711
-
-
Roos, B. O., Ed.; Springer-Verlag: Berlin
-
Taylor, P. R. In Lecture notes in Quantum Chemistry, European summer School in quantum chemistry; Roos, B. O., Ed.; Springer-Verlag: Berlin, 1992; pp 325-412. Taylor, P. R. In Lecture notes in Quantum Chemistry, European summer School in quantum chemistry; Roos, B. O., Ed.; Springer-Verlag: Berlin, 1994.
-
(1994)
Lecture Notes in Quantum Chemistry, European Summer School in Quantum Chemistry
-
-
Taylor, P.R.1
-
37
-
-
0001619261
-
-
Helgaker, T.; Gauss, J.; Jørgensen, P.; Olsen, J. J. Chem. Phys. 1997, 106, 6430-6440.
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 6430-6440
-
-
Helgaker, T.1
Gauss, J.2
Jørgensen, P.3
Olsen, J.4
-
39
-
-
84986450150
-
-
Almlöf, J.; Korsell, K.; Fægri, K. J. Comput. Chem. 1982, 3, 385-399.
-
(1982)
J. Comput. Chem.
, vol.3
, pp. 385-399
-
-
Almlöf, J.1
Korsell, K.2
Fægri, K.3
-
40
-
-
0001016677
-
-
Koch, H.; Christiansen, O.; Kobayashi, R.; Jørgensen, P.; Helgaker, T. Chem. Phys. Lett. 1994, 228, 233-238.
-
(1994)
Chem. Phys. Lett.
, vol.228
, pp. 233-238
-
-
Koch, H.1
Christiansen, O.2
Kobayashi, R.3
Jørgensen, P.4
Helgaker, T.5
-
41
-
-
0001309308
-
-
Koch, H.; Sanchez de Meras, A.; Helgaker, T.; Christiansen, O. J. Chem. Phys. 1996, 104, 4157-4165.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 4157-4165
-
-
Koch, H.1
Sanchez De Meras, A.2
Helgaker, T.3
Christiansen, O.4
-
42
-
-
0030582814
-
-
Christiansen, O.; Koch, H.; Jørgensen, P.; Helgaker, T. Chem. Phys. Lett. 1996, 263, 530-539.
-
(1996)
Chem. Phys. Lett.
, vol.263
, pp. 530-539
-
-
Christiansen, O.1
Koch, H.2
Jørgensen, P.3
Helgaker, T.4
-
43
-
-
0001424932
-
-
Halkier, A.; Koch, H.; Christiansen, O.; Jørgensen, P.; Helgaker, T. J. Chem. Phys. 1997, 107, 849-866.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 849-866
-
-
Halkier, A.1
Koch, H.2
Christiansen, O.3
Jørgensen, P.4
Helgaker, T.5
-
44
-
-
2642695168
-
-
February 15
-
Christiansen, O.; Halkier, A.; Koch, H.; Jørgensen, P.; Helgaker, T. J. Chem. Phys. 1998, February 15.
-
(1998)
J. Chem. Phys.
-
-
Christiansen, O.1
Halkier, A.2
Koch, H.3
Jørgensen, P.4
Helgaker, T.5
-
47
-
-
15844405886
-
-
Mata, F.; Martin, M. C.; Sørensen, G. O. J. Mol. Struct. 1978, 48, 157-163.
-
(1978)
J. Mol. Struct.
, vol.48
, pp. 157-163
-
-
Mata, F.1
Martin, M.C.2
Sørensen, G.O.3
-
48
-
-
4143095330
-
-
Kendall, R. A.; Dunning, T. H.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6769-6806.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6769-6806
-
-
Kendall, R.A.1
Dunning, T.H.2
Harrison, R.J.3
-
49
-
-
0000844583
-
-
Kaufmann, K.; Baumeister, W.; Jungen, M, J. Phys. B: At. Mol. Opt. Phys. 1989, 22, 2223-2240.
-
(1989)
J. Phys. B: At. Mol. Opt. Phys.
, vol.22
, pp. 2223-2240
-
-
Kaufmann, K.1
Baumeister, W.2
Jungen, M.3
-
51
-
-
0018468313
-
-
Redmon, L. T.; Purvis, G. D.; Bartlett, R. J. J. Am. Chem. Soc. 1979, 101, 2856-2862. The exponents used are 0.7(H,p), 0.654(C,d), and 1.211(O,d).
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 2856-2862
-
-
Redmon, L.T.1
Purvis, G.D.2
Bartlett, R.J.3
-
52
-
-
0004067957
-
-
Schaefer, H. F., III, Ed.; Plenum Press: New York, London
-
Dunning, T. H.; Hay, P. J. In Methods of electronic structure theory; Schaefer, H. F., III, Ed.; Plenum Press: New York, London, 1977; Vol. 2. The exponents used are the following: oxygen, 0.032(s), 0.028(p), 0.015-(d); carbon, 0.023(s), 0.021(p), 0.015(d).
-
(1977)
Methods of Electronic Structure Theory
, vol.2
-
-
Dunning, T.H.1
Hay, P.J.2
-
53
-
-
0003498748
-
-
An Electronic Structure Program, Release 1.0; Helgaker, T.; Jensen, H. J. Aa.; Jørgensen, P.; Olsen, J.; Ruud, K.; Ågren, H.; Andersen, T.; Bak, K. L.; Bakken, V.; Christiansen, O.; Dahle, P.; Dalskov, E. K.; Enevoldsen, T.; Fernandez, B.; Heiberg, H.; Hettema, H.; Jonsson, D.; Kirpekar, S.; Kobayashi, R.; Koch, H., Mikkelsen, K. V.; Norman, P. Packer, M. J.; Saue, T.; Taylor, P. R.; Vahtras, O.; 1997.
-
(1997)
An Electronic Structure Program, Release 1.0
-
-
Helgaker, T.1
Jensen, H.J.Aa.2
Jørgensen, P.3
Olsen, J.4
Ruud, K.5
Ågren, H.6
Andersen, T.7
Bak, K.L.8
Bakken, V.9
Christiansen, O.10
Dahle, P.11
Dalskov, E.K.12
Enevoldsen, T.13
Fernandez, B.14
Heiberg, H.15
Hettema, H.16
Jonsson, D.17
Kirpekar, S.18
Kobayashi, R.19
Koch, H.20
Mikkelsen, K.V.21
Norman, P.22
Packer, M.J.23
Saue, T.24
Taylor, P.R.25
Vahtras, O.26
more..
-
54
-
-
0029368062
-
-
and references therein
-
Head-Gordon, M.; Grana, A. M.; Maurice, D.; White, C. A. J. Phys. Chem. 1995, 99, 14261-14270 and references therein.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 14261-14270
-
-
Head-Gordon, M.1
Grana, A.M.2
Maurice, D.3
White, C.A.4
|