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1
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0001280465
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H.P. Lüthi, J.H. Ammeter, J. Almlöf and K. Korsell, Chem. Phys. Lett., 69 (1980) 540.
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(1980)
Chem. Phys. Lett.
, vol.69
, pp. 540
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Lüthi, H.P.1
Ammeter, J.H.2
Almlöf, J.3
Korsell, K.4
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2
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0037721153
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H.P. Lüthi, J.H. Ammeter, J. Almlöf and K. Faegri, J. Chem. Phys., 77 (1982) 2002.
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(1982)
J. Chem. Phys.
, vol.77
, pp. 2002
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Lüthi, H.P.1
Ammeter, J.H.2
Almlöf, J.3
Faegri, K.4
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3
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0000042884
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J. Almlöf, K.Faegri, B.E.R. Schilling and H.P. Lüthi, Chem. Phys. Lett., 106 (1984) 266.
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(1984)
Chem. Phys. Lett.
, vol.106
, pp. 266
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Almlöf, J.1
Faegri, K.2
Schilling, B.E.R.3
Lüthi, H.P.4
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9
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24544465055
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DISCO, a direct SCF program written by J. Almlöf, K. Faegri, and K. Korsell. In the very early days the name of the program was Supermolecule. This name was used again later by Almlöf and Feyereisen for their direct SCF, CIS, and MP2 package.
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DISCO, a Direct SCF Program
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Almlöf, J.1
Faegri, K.2
Korsell, K.3
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10
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0002014101
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H.P. Lüthi, P.E.M. Siegbahn, J. Almlöf, K. Faegri and A. Heiberg, Cem. Phys. Lett., 111 (1984) 1.
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(1984)
Cem. Phys. Lett.
, vol.111
, pp. 1
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Lüthi, H.P.1
Siegbahn, P.E.M.2
Almlöf, J.3
Faegri, K.4
Heiberg, A.5
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11
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85088545013
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note
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ig pair of orbitals which are of (almost pure) ligand π character.
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12
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4243824257
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Bad-Herrenalb (Karlsruhe)
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H.P. Lüthi, M.W. Feyereisen, and J. Almlöf, results presented at the "Symposium für Theoretische Chemie" in Bad-Herrenalb (Karlsruhe), 1989. In a more recent study by W. Klopper and H.P. Lüthi the basis set limit value for the MP2 metalligand distance in ferrocene was determined to be 1.468 A. W. Klopper and H.P. Lüthi, Chem. Phys. Lett., in press.
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(1989)
Symposium für Theoretische Chemie
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Lüthi, H.P.1
Feyereisen, M.W.2
Almlöf, J.3
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13
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4243916374
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in press
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H.P. Lüthi, M.W. Feyereisen, and J. Almlöf, results presented at the "Symposium für Theoretische Chemie" in Bad-Herrenalb (Karlsruhe), 1989. In a more recent study by W. Klopper and H.P. Lüthi the basis set limit value for the MP2 metalligand distance in ferrocene was determined to be 1.468 A. W. Klopper and H.P. Lüthi, Chem. Phys. Lett., in press.
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Chem. Phys. Lett.
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Klopper, A.W.1
Lüthi, H.P.2
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15
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0006244148
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K. Raghavachari, G.W. Trucks, J.A. Pople and M. Head-Gordon, Chem. Phys. Lett., 157 (1989) 479.
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(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
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Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
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19
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84902879123
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MOLECULE-SWEDEN is an electronic structure program written by J. Almlöf, C.W. Bauschlicher, Jr., M.R.A. Blomberg, D.P. Chong, A. Heiberg, S.R. Langhoff, P.-A. Malmqvist, A.P. Rendell, B.O. Roos, P.E.M. Siegbahn and P.R. Taylor.
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MOLECULE-SWEDEN is an Electronic Structure Program
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Almlöf, J.1
Bauschlicher C.W., Jr.2
Blomberg, M.R.A.3
Chong, D.P.4
Heiberg, A.5
Langhoff, S.R.6
Malmqvist, P.-A.7
Rendell, A.P.8
Roos, B.O.9
Siegbahn, P.E.M.10
Taylor, P.R.11
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23
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84990713479
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1 diagnosis measures the contribution of the singly excited configurations to the wavefunction and also serves as an indicator for possible near-degeneracy effects.
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(1989)
Int. J. Quantum Chem. Symp.
, vol.23
, pp. 199
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Lee, T.J.1
Taylor, P.R.2
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29
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0042404765
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D.L. Hughes, M. Jimenez-Tenorio and G.J. Leigh, Polyhedron, 8 (1989) 1780, A. Haaland, Accounts Chem. Res., 11 (1979) 415, P.N. Jagg, P.F. Kelly, H.S. Rzepa, D.J. Williams, J.D. Woolins and W. Wylie, J. Chem. Soc., Chem. Commun., (1991) 942.
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(1989)
Polyhedron
, vol.8
, pp. 1780
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Hughes, D.L.1
Jimenez-Tenorio, M.2
Leigh, G.J.3
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30
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33845561125
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D.L. Hughes, M. Jimenez-Tenorio and G.J. Leigh, Polyhedron, 8 (1989) 1780, A. Haaland, Accounts Chem. Res., 11 (1979) 415, P.N. Jagg, P.F. Kelly, H.S. Rzepa, D.J. Williams, J.D. Woolins and W. Wylie, J. Chem. Soc., Chem. Commun., (1991) 942.
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(1979)
Accounts Chem. Res.
, vol.11
, pp. 415
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Haaland, A.1
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31
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37049085005
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D.L. Hughes, M. Jimenez-Tenorio and G.J. Leigh, Polyhedron, 8 (1989) 1780, A. Haaland, Accounts Chem. Res., 11 (1979) 415, P.N. Jagg, P.F. Kelly, H.S. Rzepa, D.J. Williams, J.D. Woolins and W. Wylie, J. Chem. Soc., Chem. Commun., (1991) 942.
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(1991)
J. Chem. Soc., Chem. Commun.
, pp. 942
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Jagg, P.N.1
Kelly, P.F.2
Rzepa, H.S.3
Williams, D.J.4
Woolins, J.D.5
Wylie, W.6
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