-
1
-
-
0034245736
-
-
J. R. Scott, G. S. Groenewold, A. K. Gianotto, M. T. Benson, and J. B. Wright, J. Phys. Chem. A 104, 7079 (2000).
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 7079
-
-
Scott, J.R.1
Groenewold, G.S.2
Gianotto, A.K.3
Benson, M.T.4
Wright, J.B.5
-
2
-
-
3042776761
-
-
A. K. Gianotto, J. W. Rawlinson, K. C. Cossel, J. E. Olson, A. D. Appelhans, and G. S. Groenwold, J. Am. Chem. Soc. 126, 8275 (2004).
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 8275
-
-
Gianotto, A.K.1
Rawlinson, J.W.2
Cossel, K.C.3
Olson, J.E.4
Appelhans, A.D.5
Groenwold, G.S.6
-
5
-
-
2442589425
-
-
F. J. Tenorio, I. Murray, A. Martinez, K. J. Klabunde, and J. V. Ortiz, J. Chem. Phys. 120, 7955 (2004).
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 7955
-
-
Tenorio, F.J.1
Murray, I.2
Martinez, A.3
Klabunde, K.J.4
Ortiz, J.V.5
-
10
-
-
33744793985
-
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision B.05, Gaussian, Inc., Pittsburgh, PA, 2003.
-
(2003)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
11
-
-
0000189651
-
-
0021-9606 10.1063/1.464913
-
A. D. Becke, J. Chem. Phys. 0021-9606 10.1063/1.464913 98, 5648 (1993); P. Hohenberg and W. Kohn, Phys. Rev. 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964); A. D. Becke, Phys. Rev. A 1050-2947 10.1103/PhysRevA.38.3098 38, 3098 (1988); S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 0008-4204 58, 1200 (1980); C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988); B. Miehlich, A. Savin, H. Stoll, and H. Preuss, Chem. Phys. Lett. 157, 200 (1989).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
12
-
-
10644250257
-
-
0096-8269 10.1103/PhysRev.136.B864
-
A. D. Becke, J. Chem. Phys. 0021-9606 10.1063/1.464913 98, 5648 (1993); P. Hohenberg and W. Kohn, Phys. Rev. 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964); A. D. Becke, Phys. Rev. A 1050-2947 10.1103/PhysRevA.38.3098 38, 3098 (1988); S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 0008-4204 58, 1200 (1980); C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988); B. Miehlich, A. Savin, H. Stoll, and H. Preuss, Chem. Phys. Lett. 157, 200 (1989).
-
(1964)
Phys. Rev.
, vol.136
, pp. 864
-
-
Hohenberg, P.1
Kohn, W.2
-
13
-
-
4243553426
-
-
1050-2947 10.1103/PhysRevA.38.3098
-
A. D. Becke, J. Chem. Phys. 0021-9606 10.1063/1.464913 98, 5648 (1993); P. Hohenberg and W. Kohn, Phys. Rev. 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964); A. D. Becke, Phys. Rev. A 1050-2947 10.1103/PhysRevA.38.3098 38, 3098 (1988); S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 0008-4204 58, 1200 (1980); C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988); B. Miehlich, A. Savin, H. Stoll, and H. Preuss, Chem. Phys. Lett. 157, 200 (1989).
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098
-
-
Becke, A.D.1
-
14
-
-
0000216001
-
-
0008-4204
-
A. D. Becke, J. Chem. Phys. 0021-9606 10.1063/1.464913 98, 5648 (1993); P. Hohenberg and W. Kohn, Phys. Rev. 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964); A. D. Becke, Phys. Rev. A 1050-2947 10.1103/PhysRevA.38.3098 38, 3098 (1988); S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 0008-4204 58, 1200 (1980); C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988); B. Miehlich, A. Savin, H. Stoll, and H. Preuss, Chem. Phys. Lett. 157, 200 (1989).
-
(1980)
Can. J. Phys.
, vol.58
, pp. 1200
-
-
Vosko, S.H.1
Wilk, L.2
Nusair, M.3
-
15
-
-
0345491105
-
-
0163-1829 10.1103/PhysRevB.37.785
-
A. D. Becke, J. Chem. Phys. 0021-9606 10.1063/1.464913 98, 5648 (1993); P. Hohenberg and W. Kohn, Phys. Rev. 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964); A. D. Becke, Phys. Rev. A 1050-2947 10.1103/PhysRevA.38.3098 38, 3098 (1988); S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 0008-4204 58, 1200 (1980); C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988); B. Miehlich, A. Savin, H. Stoll, and H. Preuss, Chem. Phys. Lett. 157, 200 (1989).
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
16
-
-
0038596731
-
-
A. D. Becke, J. Chem. Phys. 0021-9606 10.1063/1.464913 98, 5648 (1993); P. Hohenberg and W. Kohn, Phys. Rev. 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964); A. D. Becke, Phys. Rev. A 1050-2947 10.1103/PhysRevA.38.3098 38, 3098 (1988); S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 0008-4204 58, 1200 (1980); C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988); B. Miehlich, A. Savin, H. Stoll, and H. Preuss, Chem. Phys. Lett. 157, 200 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 200
-
-
Miehlich, B.1
Savin, A.2
Stoll, H.3
Preuss, H.4
-
17
-
-
6944251055
-
-
0031-899X 10.1103/PhysRev.46.618
-
C. Møller and M. S. Plesset, Phys. Rev. 0031-899X 10.1103/PhysRev.46.618 46, 618 (1934); J. S. Binkley and J. A. Pople, Int. J. Quantum Chem. 9, 229 (1975).
-
(1934)
Phys. Rev.
, vol.46
, pp. 618
-
-
Møller, C.1
Plesset, M.S.2
-
18
-
-
84987059635
-
-
C. Møller and M. S. Plesset, Phys. Rev. 0031-899X 10.1103/PhysRev.46.618 46, 618 (1934); J. S. Binkley and J. A. Pople, Int. J. Quantum Chem. 9, 229 (1975).
-
(1975)
Int. J. Quantum Chem.
, vol.9
, pp. 229
-
-
Binkley, J.S.1
Pople, J.A.2
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