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Maruani J (ed) Kluwer, Dordrecht
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Molecules in Physics, Chemistry, and Biology
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Lund, A.1
Lindgren, M.2
Lunell, S.3
Maruani, J.4
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3
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0001707459
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Merer AJ, Schoonveld L (1969) Can J Phys 47:1731; Köppel H, Domcke W, Cederbaum LS, von Niessen W (1978) J Chem Phys 69:4252
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Merer, A.J.1
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4
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36749106602
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Merer AJ, Schoonveld L (1969) Can J Phys 47:1731; Köppel H, Domcke W, Cederbaum LS, von Niessen W (1978) J Chem Phys 69:4252
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Von Niessen, W.4
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5
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0001780417
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and references therein
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Lunell S, Huang MB (1990) Chem Phys Lett 168:63, and references therein; Eriksson LA, Malkin VG, Malkina OL, Salahub DR (1994) Int J Quantum Chem 52:879
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Lunell S, Huang MB (1990) Chem Phys Lett 168:63, and references therein; Eriksson LA, Malkin VG, Malkina OL, Salahub DR (1994) Int J Quantum Chem 52:879
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Eriksson, L.A.1
Malkin, V.G.2
Malkina, O.L.3
Salahub, D.R.4
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34250817103
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The original three-parameter hybrid was suggested by Becke: Becke AD (1993) J Chem Phys 98:1372. A slightly modified form is implemented in the Gaussian programs: Stephens PJ, Devlin FJ, Chablowksi CF, Frisch MJ (1994) J Phys Chem 98:11623
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J Chem Phys
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Becke, A.D.1
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27
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33751157732
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The original three-parameter hybrid was suggested by Becke: Becke AD (1993) J Chem Phys 98:1372. A slightly modified form is implemented in the Gaussian programs: Stephens PJ, Devlin FJ, Chablowksi CF, Frisch MJ (1994) J Phys Chem 98:11623
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(1994)
J Phys Chem
, vol.98
, pp. 11623
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Stephens, P.J.1
Devlin, F.J.2
Chablowksi, C.F.3
Frisch, M.J.4
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36549104346
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See, e.g. Schwenke DW, Truhlar DG (1985) J Chem Phys 82:2418; Schwenke DW, Truhlar DG (1986) J Chem Phys 84:4113, and references therein
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J Chem Phys
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Schwenke, D.W.1
Truhlar, D.G.2
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36549104346
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and references therein
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See, e.g. Schwenke DW, Truhlar DG (1985) J Chem Phys 82:2418; Schwenke DW, Truhlar DG (1986) J Chem Phys 84:4113, and references therein
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J Chem Phys
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Schwenke, D.W.1
Truhlar, D.G.2
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36549097731
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and references therein
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See, e.g. Frisch MJ, DelBene JE, Binkley JS, Schaefer III HF (1986) J Chem Phys 84:2279, and references therein
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J Chem Phys
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Frisch, M.J.1
DelBene, J.E.2
Binkley, J.S.3
Schaefer H.F. III4
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Gaussian, Inc., Pittsburgh, Pa
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GAUSSIAN 92, Revision C. Frisch MJ, Trucks GW, Head-Gordon M, Gill PMW, Wong MW, Foresman JB, Johnson BG, Schlegel HB, Robb MA, Replogle ES, Gomperts R, Andres JL, Raghavachari K, Binkley JS, Gonzalez C, Martin RL, Fox DJ, Defrees DJ, Baker J, Stewart JJP, Pople JA (1992) Gaussian, Inc., Pittsburgh, Pa
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Frisch, M.J.1
Trucks, G.W.2
Head-Gordon, M.3
Gill, P.M.W.4
Wong, M.W.5
Foresman, J.B.6
Johnson, B.G.7
Schlegel, H.B.8
Robb, M.A.9
Replogle, E.S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzalez, C.15
Martin, R.L.16
Fox, D.J.17
Defrees, D.J.18
Baker, J.19
Stewart, J.J.P.20
Pople, J.A.21
more..
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GAUSSIAN 94, Revision B2. Frisch MJ, Trucks GW, Schlegel HB, Gill PMW, Johnson BG, Robb MA, Cheeseman JR, Keith T, Petersson GA, Montgomery JA, Raghavachari K, Al-Laham MA, Zakrzewski VG, Ortiz JV, Foresman JB, Cioslowski J, Stefanov BB, Nanayakkara A, Challacombe M, Peng CY, Ayala PY, Chen W, Wong MW, Andres JL, Replogle ES, Gomperts R, Martin RL, Fox DJ, Binkley JS, Defrees DJ, Baker J, Stewart JJP, Head-Gordon M, Gonzalez C, Pople JA (1995) Gaussian, Inc., Pittsburgh, Pa
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GAUSSIAN 94, Revision B2
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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.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, 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.J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
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