-
1
-
-
34250926854
-
-
Fock, V. Z. Phys. 1930, 61, 126.
-
(1930)
Z. Phys.
, vol.61
, pp. 126
-
-
Fock, V.1
-
2
-
-
0002829765
-
-
Hartree, D. R.; Hartree, W. Proc. R. Soc. (London) 1935, A150, 9; Roothaan, C. C. J. Rev. Mod. Phys. 1960, 32, 179.
-
(1935)
Proc. R. Soc. (London)
, vol.A150
, pp. 9
-
-
Hartree, D.R.1
Hartree, W.2
-
3
-
-
0042977504
-
-
Hartree, D. R.; Hartree, W. Proc. R. Soc. (London) 1935, A150, 9; Roothaan, C. C. J. Rev. Mod. Phys. 1960, 32, 179.
-
(1960)
Rev. Mod. Phys.
, vol.32
, pp. 179
-
-
Roothaan, C.C.J.1
-
5
-
-
3342906428
-
-
Pople, J. A.; Nesbet, R. K. J. Chem. Phys. 1954, 22, 571; Berthier, G. Compt. Rend. Acad. Sci. 1954, 238, 91; Berthier, G. J. Chim. Phys 1954, 51, 363.
-
(1954)
J. Chem. Phys.
, vol.22
, pp. 571
-
-
Pople, J.A.1
Nesbet, R.K.2
-
6
-
-
0040688243
-
-
Pople, J. A.; Nesbet, R. K. J. Chem. Phys. 1954, 22, 571; Berthier, G. Compt. Rend. Acad. Sci. 1954, 238, 91; Berthier, G. J. Chim. Phys 1954, 51, 363.
-
(1954)
Compt. Rend. Acad. Sci.
, vol.238
, pp. 91
-
-
Berthier, G.1
-
7
-
-
0039021556
-
-
Pople, J. A.; Nesbet, R. K. J. Chem. Phys. 1954, 22, 571; Berthier, G. Compt. Rend. Acad. Sci. 1954, 238, 91; Berthier, G. J. Chim. Phys 1954, 51, 363.
-
(1954)
J. Chim. Phys
, vol.51
, pp. 363
-
-
Berthier, G.1
-
8
-
-
6944251055
-
-
Møller, C.; Plesset, M. S. Phys. Rev. 1934, 46, 618; Dirac, P. A. M. Proc. Cambridge Philos. Soc. 1930, 26, 376.
-
(1934)
Phys. Rev.
, vol.46
, pp. 618
-
-
Møller, C.1
Plesset, M.S.2
-
9
-
-
84959186380
-
-
Møller, C.; Plesset, M. S. Phys. Rev. 1934, 46, 618; Dirac, P. A. M. Proc. Cambridge Philos. Soc. 1930, 26, 376.
-
(1930)
Proc. Cambridge Philos. Soc.
, vol.26
, pp. 376
-
-
Dirac, P.A.M.1
-
10
-
-
0001320706
-
-
Kozlowski, P. M.; Dupuis, M.; Davidson, E. R. J. Am. Chem. Soc. 1995, 117, 774.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 774
-
-
Kozlowski, P.M.1
Dupuis, M.2
Davidson, E.R.3
-
12
-
-
0002218524
-
-
Borden, W. T., Ed.; John Wiley and Sons: New York
-
Davidson, E. R. In Diradicals; Borden, W. T., Ed.; John Wiley and Sons: New York, 1982; pp 73-105.
-
(1982)
Diradicals
, pp. 73-105
-
-
Davidson, E.R.1
-
16
-
-
0003474231
-
-
IBM Corp.: Neighborhood Road, Kingston, NY 12401
-
Dupuis, M.; Marquez, A.; Davidson, E. R. HONDO 95.3 from CHEM-Station; IBM Corp.: Neighborhood Road, Kingston, NY 12401, 1995.
-
(1995)
HONDO 95.3 from CHEM-Station
-
-
Dupuis, M.1
Marquez, A.2
Davidson, E.R.3
-
18
-
-
0000649832
-
-
Krishnan, R.; Frisch, M. J.; Pople, J. A. J. Chem. Phys. 1980, 72, 4244.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 4244
-
-
Krishnan, R.1
Frisch, M.J.2
Pople, J.A.3
-
19
-
-
0344980861
-
-
Raghavachari, K.; Pople, J. A.; Replogle, E. S.; Head-Gordon, M. J. Phys. Chem. 1990, 94, 5579.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5579
-
-
Raghavachari, K.1
Pople, J.A.2
Replogle, E.S.3
Head-Gordon, M.4
-
20
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; Petersson, G. A.; Montgomery, J. A.; Raghvachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94; Gaussian, Inc.: Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.A.8
Petersson, G.A.9
Montgomery, J.A.10
Raghvachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
22
-
-
84873055189
-
-
John Wiley and Sons: New York
-
Hehre, W. H.; Radom, L.; Schleyer, P. v. R.; Pople, J. A. Ab initio Molecular Orbital Theory; John Wiley and Sons: New York, 1986; pp 275-276.
-
(1986)
Ab Initio Molecular Orbital Theory
, pp. 275-276
-
-
Hehre, W.H.1
Radom, L.2
Schleyer, P.V.R.3
Pople, J.A.4
-
23
-
-
0001567811
-
-
Chaudhuri, R. K.; Freed, K. F. J. Chem. Phys. 1997, 107, 6699, have recently published higher order studies with a small basis set and spinrestricted wave functions.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 6699
-
-
Chaudhuri, R.K.1
Freed, K.F.2
|