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Keld L. Bak

  1. Published

    The Dalton quantum chemistry program system. / Aidas, Kestutis; Angeli, C.; Bak, K.L.; Bakken, V.; Bast, R.; Boman, L.; Christiansen, O.; Cimiraglia, R.; Coriani, S.; Dahle, P.; Dalskov, E.K.; Ekström, U.; Enevoldsen, T.; Eriksen, J.J.; Ettenhuber, P.; Fernández, B.; Ferrighi, L.; Fliegl, H.; Frediani, L.; Hald, K.; Halkier, A.; Hättig, C.; Heiberg, H.; Helgaker, T.; Hennum, A.C.; Hettema, H.; Hjertenæs, E.; Høst, S.; Høyvik, I.-M.; Iozzi, M.F.; Jansík, B.; Jensen, H.J.A.; Jonsson, D.; Jørgensen, P.; Kauczor, J.; Kirpekar, S.; Kjærgaard, T.; Klopper, W.; Knecht, Stefan; Kobayashi, R.; Koch, H.; Kongsted, J.; Krapp, A.; Kristensen, K.; Ligabue, A.; Lutnæs, O.B.; Melo, J.I.; Mikkelsen, K.V.; Myhre, R.H.; Neiss, C.; Nielsen, C.B.; Norman, P.; Olsen, J.; Olsen, J.M.H.; Osted, A.; Packer, M.J.; Pawlowski, F.; Pedersen, T.B.; Provasi, P.F.; Reine, S.; Rinkevicius, Z.; Ruden, T.A.; Ruud, K.; Rybkin, V.V.; Sałek, P.; Samson, C.C.M.; de Merás, A.S.; Saue, T.; Sauer, Stephan P. A.; Schimmelpfennig, B.; Sneskov, K.; Steindal, A.H.; Sylvester-Hvid, K. O.; Taylor, P.R.; Teale, A.M.; Tellgren, E.I.; Tew, D.P.; Thorvaldsen, A.J.; Thøgersen, L.; Vahtras, O.; Watson, M.A.; Wilson, Douglas; Ziolkowski, M.; Ågren, H.

    In: Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 4, No. 3, 2014, p. 269–284.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  2. Published

    The accuracy of molecular dipole moments in standard electronic structure calculations. / Bak, K.L.; Gauss, J.; Helgaker, T.; Jørgensen, Poul; Olsen, Jeppe.

    In: Chemical Physics Letters, Vol. 319, No. 5-6, 2000, p. 563-568.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  3. Published

    The accurate determination of molecular equilibrium structures. / Bak, Keld L.; Gauss, Jürgen; Jørgensen, Poul; Olsen, Jeppe; Helgaker, Trygve; Stanton, J.F.

    In: Journal of Chemical Physics, Vol. 114, No. 15, 15.04.2001, p. 6548-6556.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  4. Published

    The vibrational g-factor of dihydrogen from theoretical calculation and analysis of vibration-rotational spectra. / Bak, KL; Sauer, Stephan P. A.; Oddershede, Jens; Ogilvie, J. F.

    In: Physical Chemistry Chemical Physics, Vol. 7, No. 8, 2005, p. 1747-1758.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  5. Published

    VIBRATIONAL RAMAN OPTICAL-ACTIVITY CALCULATIONS USING LONDON ATOMIC ORBITALS. / Helgaker, T.; Ruud, K.; Bak, Keld L.; Jørgensen, Poul; Olsen, Jeppe.

    In: Faraday Discussions, Vol. 99, 1994, p. 165-180.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  6. Published

    Vibrational absorption and circular dichroism of mono- and dimethyl derivatives of 6,8-dioxabicyclo[3.2.1]octane. / Ashvar, CS; Devlin, FJ; Stephens, PJ; Bak, KL; Eggimann, T; Wieser, H.

    In: The Journal of Physical Chemistry Letters, Vol. 102, No. 34, 20.08.1998, p. 6842-6857.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

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