-
1
-
-
33750711820
-
-
Gaussian, Inc., Pittsburgh, PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision B.4, Gaussian, Inc., Pittsburgh, PA, 2003.
-
(2003)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
3
-
-
23244460838
-
-
0163-1829 10.1103/PhysRevB.46.6671
-
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 0163-1829 10.1103/PhysRevB.46.6671 46, 6671 (1992); J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
4
-
-
33645898818
-
-
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 0163-1829 10.1103/PhysRevB.46.6671 46, 6671 (1992); J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).
-
(1992)
Phys. Rev. B
, vol.45
, pp. 13244
-
-
Perdew, J.P.1
Wang, Y.2
-
5
-
-
0006073669
-
-
0021-9606 10.1063/1.448800
-
W. R. Wadt and P. J. Hay, J. Chem. Phys. 0021-9606 10.1063/1.448800 82, 284 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); P. J. Hay, J. Chem. Phys. 66, 4377 (1977).
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 284
-
-
Wadt, W.R.1
Hay, P.J.2
-
6
-
-
33745770836
-
-
0021-9606 10.1063/1.448799
-
W. R. Wadt and P. J. Hay, J. Chem. Phys. 0021-9606 10.1063/1.448800 82, 284 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); P. J. Hay, J. Chem. Phys. 66, 4377 (1977).
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 270
-
-
Hay, P.J.1
Wadt, W.R.2
-
7
-
-
10144223417
-
-
W. R. Wadt and P. J. Hay, J. Chem. Phys. 0021-9606 10.1063/1.448800 82, 284 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); P. J. Hay, J. Chem. Phys. 66, 4377 (1977).
-
(1977)
J. Chem. Phys.
, vol.66
, pp. 4377
-
-
Hay, P.J.1
-
8
-
-
36749105581
-
-
P. J. Hay, W. R. Wadt, L. R. Kahn, and F. W. Bobrowicz, J. Chem. Phys. 69, 984 (1978).
-
(1978)
J. Chem. Phys.
, vol.69
, pp. 984
-
-
Hay, P.J.1
Wadt, W.R.2
Kahn, L.R.3
Bobrowicz, F.W.4
-
9
-
-
9744279741
-
-
0021-9606 10.1063/1.1802273
-
K. Gustafsson and S. Andersson, J. Chem. Phys. 0021-9606 10.1063/1.1802273 121, 8532 (2004); K. Gustafsson and S. Andersson, J. Chem. Phys. 120, 7750 (2004).
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 8532
-
-
Gustafsson, K.1
Andersson, S.2
-
10
-
-
2342634490
-
-
K. Gustafsson and S. Andersson, J. Chem. Phys. 0021-9606 10.1063/1.1802273 121, 8532 (2004); K. Gustafsson and S. Andersson, J. Chem. Phys. 120, 7750 (2004).
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 7750
-
-
Gustafsson, K.1
Andersson, S.2
-
11
-
-
4043104992
-
-
1089-5639 10.1021/jp0489572
-
P. B. Balbuena, D. Altomare, N. Vadlamani, S. Bingi, L. A. Agapito, and J. M. Seminario, J. Phys. Chem. A 1089-5639 10.1021/jp0489572 108, 6378 (2004); P. B. Balbuena, D. Altomare, L. A. Agapito, and J. M. Seminario, J. Phys. Chem. B 107, 13671 (2003); P. B. Balbuena, L. R. Saenz, C. Herrera, and J. M. Seminario, in Nanomaterials: Design and Simulation, edited by, P. B. Balbuena, and, J. M. Seminario, (Elsevier, Amsterdam, 2006), Vol. 18, p. 1.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 6378
-
-
Balbuena, P.B.1
Altomare, D.2
Vadlamani, N.3
Bingi, S.4
Agapito, L.A.5
Seminario, J.M.6
-
12
-
-
0346885690
-
-
P. B. Balbuena, D. Altomare, N. Vadlamani, S. Bingi, L. A. Agapito, and J. M. Seminario, J. Phys. Chem. A 1089-5639 10.1021/jp0489572 108, 6378 (2004); P. B. Balbuena, D. Altomare, L. A. Agapito, and J. M. Seminario, J. Phys. Chem. B 107, 13671 (2003); P. B. Balbuena, L. R. Saenz, C. Herrera, and J. M. Seminario, in Nanomaterials: Design and Simulation, edited by, P. B. Balbuena, and, J. M. Seminario, (Elsevier, Amsterdam, 2006), Vol. 18, p. 1.
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 13671
-
-
Balbuena, P.B.1
Altomare, D.2
Agapito, L.A.3
Seminario, J.M.4
-
13
-
-
4043104992
-
-
edited by P. B.Balbuena and J. M.Seminario (Elsevier, Amsterdam
-
P. B. Balbuena, D. Altomare, N. Vadlamani, S. Bingi, L. A. Agapito, and J. M. Seminario, J. Phys. Chem. A 1089-5639 10.1021/jp0489572 108, 6378 (2004); P. B. Balbuena, D. Altomare, L. A. Agapito, and J. M. Seminario, J. Phys. Chem. B 107, 13671 (2003); P. B. Balbuena, L. R. Saenz, C. Herrera, and J. M. Seminario, in Nanomaterials: Design and Simulation, edited by, P. B. Balbuena, and, J. M. Seminario, (Elsevier, Amsterdam, 2006), Vol. 18, p. 1.
-
(2006)
Nanomaterials: Design and Simulation
, vol.18
, pp. 1
-
-
Balbuena, P.B.1
Saenz, L.R.2
Herrera, C.3
Seminario, J.M.4
-
16
-
-
33645984591
-
-
1533-4880
-
L. Yan, Y. Ma, and J. M. Seminario, J. Nanosci. Nanotechnol. 1533-4880 6, 675 (2006); J. M. Seminario, L. Yan, and Y. Ma, J. Phys. Chem. A 1089-5639 109, 9712 (2005); J. M. Seminario, L. Yan, and Y. Ma, Proc. IEEE 93, 1753 (2005).
-
(2006)
J. Nanosci. Nanotechnol.
, vol.6
, pp. 675
-
-
Yan, L.1
Ma, Y.2
Seminario, J.M.3
-
17
-
-
27744577297
-
-
1089-5639
-
L. Yan, Y. Ma, and J. M. Seminario, J. Nanosci. Nanotechnol. 1533-4880 6, 675 (2006); J. M. Seminario, L. Yan, and Y. Ma, J. Phys. Chem. A 1089-5639 109, 9712 (2005); J. M. Seminario, L. Yan, and Y. Ma, Proc. IEEE 93, 1753 (2005).
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 9712
-
-
Seminario, J.M.1
Yan, L.2
Ma, Y.3
-
18
-
-
26444442487
-
-
L. Yan, Y. Ma, and J. M. Seminario, J. Nanosci. Nanotechnol. 1533-4880 6, 675 (2006); J. M. Seminario, L. Yan, and Y. Ma, J. Phys. Chem. A 1089-5639 109, 9712 (2005); J. M. Seminario, L. Yan, and Y. Ma, Proc. IEEE 93, 1753 (2005).
-
(2005)
Proc. IEEE
, vol.93
, pp. 1753
-
-
Seminario, J.M.1
Yan, L.2
Ma, Y.3
|