-
1
-
-
36749080930
-
-
CRCOCR 1631-0748.
-
I. Bernal, C. R. Chim. CRCOCR 1631-0748 10, 1209 (2007).
-
(2007)
C. R. Chim.
, vol.10
, pp. 1209
-
-
Bernal, I.1
-
2
-
-
38349094838
-
-
Cambridge Crystallographic Structural Database (CCSD), Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK, (http://www.ccdc.cam.ac.uk).
-
Cambridge Crystallographic Structural Database (CCSD), Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK, 2006 (http://www.ccdc.cam.ac.uk).
-
(2006)
-
-
-
3
-
-
0039012431
-
-
INOCAJ 0020-1669 10.1021/ic50162a016.
-
G. J. Palenik, D. W. Wester, U. Rychlewska, and R. C. Palenik, Inorg. Chem. INOCAJ 0020-1669 10.1021/ic50162a016 15, 1814 (1976).
-
(1976)
Inorg. Chem.
, vol.15
, pp. 1814
-
-
Palenik, G.J.1
Wester, D.W.2
Rychlewska, U.3
Palenik, R.C.4
-
4
-
-
2342421846
-
-
ORGND7 0276-7333 10.1021/om0499660.
-
D. J. Fox and R. G. Bergman, Organometallics ORGND7 0276-7333 10.1021/om0499660 23, 1656 (2004).
-
(2004)
Organometallics
, vol.23
, pp. 1656
-
-
Fox, D.J.1
Bergman, R.G.2
-
6
-
-
3843146349
-
-
JCPSA6 0021-9606 10.1063/1.464303.
-
D. E. Woon and Thom H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464303 98, 1358 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1358
-
-
Woon, D.E.1
Dunning Jr., T.H.2
-
7
-
-
4143095330
-
-
JCPSA6 0021-9606 10.1063/1.462569.
-
R. A. Kendall, Thom H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.462569 96, 6796 (1992).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
8
-
-
33746614482
-
-
JCPSA6 0021-9606 10.1063/1.456153.
-
Thom H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.456153 90, 1007 (1989).
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007
-
-
Dunning Jr., T.H.1
-
9
-
-
0010408411
-
-
JCPSA6 0021-9606 10.1063/1.466884.
-
K. A. Peterson, D. E. Woon, and Thom H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.466884 100, 7410 (1994).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 7410
-
-
Peterson, K.A.1
Woon, D.E.2
Dunning Jr., T.H.3
-
10
-
-
0041536947
-
-
JMOSB4 0022-2860 10.1016/S0166-1280(96)80048-0.
-
A. K. Wilson, T. v. Mourik, and Thom H. Dunning, Jr., J. Mol. Struct. JMOSB4 0022-2860 10.1016/S0166-1280(96)80048-0 388, 339 (1996).
-
(1996)
J. Mol. Struct.
, vol.388
, pp. 339
-
-
Wilson, A.K.1
Dunning Jr., T.H.2
-
11
-
-
38349184577
-
-
Introduction to Computational Chemistry (Wiley, New York).
-
F. Jensen, Introduction to Computational Chemistry (Wiley, New York, 1999).
-
(1999)
-
-
Jensen, F.1
-
12
-
-
2342430094
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.23.69.
-
C. C. J. Roothaan, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys. 23.69 23, 69 (1951).
-
(1951)
Rev. Mod. Phys.
, vol.23
, pp. 69
-
-
Roothaan, C.C.J.1
-
13
-
-
3342906428
-
-
JCPSA6 0021-9606 10.1063/1.1740120.
-
J. A. Pople and R. K. Nesbet, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1740120 22, 571 (1954).
-
(1954)
J. Chem. Phys.
, vol.22
, pp. 571
-
-
Pople, J.A.1
Nesbet, R.K.2
-
14
-
-
0003508707
-
-
JCPSA6 0021-9606 10.1063/1.1669970.
-
R. McWeeny and G. Diercksen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1669970 49, 4852 (1968).
-
(1968)
J. Chem. Phys.
, vol.49
, pp. 4852
-
-
McWeeny, R.1
Diercksen, G.2
-
15
-
-
0000189651
-
-
JCPSA6 0021-9606 10.1063/1.464913.
-
A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464913 98, 5648 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
16
-
-
0345491105
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.37.785.
-
C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988).
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
17
-
-
0038596731
-
-
CHPLBC 0009-2614 10.1016/0009-2614(89)87234-3.
-
B. Miehlich, A. Savin, H. Stoll, and H. Preuss, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(89)87234-3 157, 200 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 200
-
-
Miehlich, B.1
Savin, A.2
Stoll, H.3
Preuss, H.4
-
18
-
-
10644250257
-
-
PRVBAK 0096-8269 10.1103/PhysRev.136.B864.
-
P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964).
-
(1964)
Phys. Rev.
, vol.136
, pp. 864
-
-
Hohenberg, P.1
Kohn, W.2
-
19
-
-
0042113153
-
-
PRVAAH 0096-8250 10.1103/PhysRev.140.A1133.
-
W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
-
(1965)
Phys. Rev.
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.J.2
-
21
-
-
6944251055
-
-
PHRVAO 0031-899X 10.1103/PhysRev.46.618.
-
C. Møller and M. S. Plesset, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.46.618 46, 618 (1934).
-
(1934)
Phys. Rev.
, vol.46
, pp. 618
-
-
Møller, C.1
Plesset, M.S.2
-
25
-
-
0000949944
-
-
CHPLBC 0009-2614 10.1016/0009-2614(94)00116-2.
-
M. Head-Gordon and T. Head-Gordon, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(94)00116-2 220, 122 (1994).
-
(1994)
Chem. Phys. Lett.
, vol.220
, pp. 122
-
-
Head-Gordon, M.1
Head-Gordon, T.2
-
26
-
-
0002319063
-
-
CHPLBC 0009-2614 10.1016/0009-2614(89)87442-1.
-
S. Saebø and J. Almløf, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(89)87442-1 154, 83 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.154
, pp. 83
-
-
Saebø, S.1
Almløf, J.2
-
28
-
-
38349186252
-
-
GAUSSIAN 03, Gaussian, Inc., Pittsburgh, PA.
-
M. Frisch, C. Adamo, V. Barone, GAUSSIAN 03, Gaussian, Inc., Pittsburgh, PA, 2003.
-
(2003)
-
-
Frisch, M.1
Adamo, C.2
Barone, V.3
|