A set of f-polarization functions for pseudo-potential basis sets of the transition metals ScCu, YAg and LaAu
Ehlers, A.W., Böhme, M., Dapprich, S., Gobbi, A., Höllwarth, A., Jonas, V., Köhler, K.F., Stegmann, R., Veldkamp, A., Frenking, G.
Published in Chemical physics letters (01.06.1993)
Published in Chemical physics letters (01.06.1993)
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A set of d-polarization functions for pseudo-potential basis sets of the main group elements AlBi and f-type polarization functions for Zn, Cd, Hg
Höllwarth, A., Böhme, M., Dapprich, S, Ehlers, A.W., Gobbi, A., Jonas, V., Köhler, K.F., Stegmann, R., Veldkamp, A., Frenking, G.
Published in Chemical physics letters (01.06.1993)
Published in Chemical physics letters (01.06.1993)
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The calculation of bond dissociation energies of transition metal complexes using isostructural reactions
Dapprich, S., Pidun, U., Ehlers, A.W., Frenking, G.
Published in Chemical physics letters (25.08.1995)
Published in Chemical physics letters (25.08.1995)
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Theory Does Not Support an Osmaoxetane Intermediate in the Osmium-Catalyzed Dihydroxylation of Olefins
Dapprich, Stefan, Ujaque, Gregori, Maseras, Feliu, Lledós, Agustí, Musaev, Djamaladdin G, Morokuma, Keiji
Published in Journal of the American Chemical Society (20.11.1996)
Published in Journal of the American Chemical Society (20.11.1996)
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Nature of the Metal−Alkene Bond in Platinum Complexes of Strained Olefins
Uddin, Jamal, Dapprich, Stefan, Frenking, Gernot, Yates, Brian F
Published in Organometallics (15.02.1999)
Published in Organometallics (15.02.1999)
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A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives
Dapprich, Stefan, Komáromi, István, Byun, K.Suzie, Morokuma, Keiji, Frisch, Michael J
Published in Journal of molecular structure. Theochem (02.04.1999)
Published in Journal of molecular structure. Theochem (02.04.1999)
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A set of d-polarization functions for pseudo-potential basis sets of the main group elements Al-Bi and f-type polarization functions for Zn, Cd, Hg (Chem. Phys. Letters 208 (1993) 237)
Höllwarth, A., Böhme, M., Dapprich, S., Ehlers, A.W., Gobbi, A., Jonas, V., Köhler, K.F., Stegmann, R., Veldkamp, A., Frenking, G.
Published in Chemical physics letters (22.07.1994)
Published in Chemical physics letters (22.07.1994)
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