Latest update: 29 Jul 2014

My Research


I am currently a Research Fellow of the Academy of Finland, as well as a docent (adjunct professor) at the Department of Chemistry, University of Helsinki.

My main research interests include applications of computational (quantum) chemistry within the following overlapping fields of study:

The following doesn't include that much yet, but should give some insight into my scientific interests and research conducted to date.

Publications [icon]

Reprints and preprints are happily available. Just, for example, e-mail me at mikael.johansson@iki.fi.

[ResearcherID]: A-5889-2009
[Gscholar]: ahWOxisAAAAJ
[Scopus]: 26427682600

  1. M.P. Johansson, M.R.A. Blomberg, D. Sundholm, M. Wikström, "Change in electron and spin density upon electron transfer to haem", Biochim. Biophys. Acta – Bioenergetics 1553 (2002) 183–187.
    Abstract Full text
  2. M.P. Johansson, D. Sundholm, G. Gerfen, M. Wikström, "The Spin Distribution in Low-Spin Iron Porphyrins", J. Am. Chem. Soc. 124 (2002) 11771–11780.
    Abstract Full text [icon] Supp info (coordinates)
  3. A. Lilienkampf, M.P. Johansson, K. Wähälä, "(Z)-1-Aryl-1-haloalkenes as Intermediates in the Vilsmeier Haloformylation of Aryl Ketones", Org. Lett. 5 (2003) 3387–3390.
    Abstract Full text [icon] ChemInform
  4. M.P. Johansson, D. Sundholm, "Spin and charge distribution in iron porphyrin models: A coupled cluster and density-functional study", J. Chem. Phys. 120 (2004) 3229–3236.
    Abstract Full text [icon] Supp info (coordinates) [Cover by MP & MJ]
  5. J. Autschbach, B.A. Hess, M.P. Johansson, J. Neugebauer, M. Patzschke, P. Pyykkö, M. Reiher, D. Sundholm, "Properties of WAu12", Phys. Chem. Chem. Phys. 6 (2004) 11–22.
    Abstract Full text [icon] ChemInform
  6. M.P. Johansson, D. Sundholm, J. Vaara, "Au32: A 24-Carat Golden Fullerene", Angew. Chem. Int. Ed. 43 (2004) 2678–2681; Angew. Chem. 116 (2004) 2732–2735.
    Abstract Full text [icon] Supp info (coordinates) [icon] Press release [icon] C&EN News [icon] ChemInform
  7. M.P. Johansson, P. Pyykkö, "The importance of being tetrahedral: the cadmium pyramids CdN; N = 4, 10, 20, 35 and 56", Phys. Chem. Chem. Phys. 6 (2004) 2907–2909.
    Abstract Full text [icon] Supp info (coordinates) [icon] ChemInform
  8. M.P. Johansson, J. Jusélius, "Arsole Aromaticity Revisited", Lett. Org. Chem. 2 (2005) 469–474.
    Abstract Full text [icon] Preprint
  9. M.P. Johansson, J. Jusélius, D. Sundholm, "Sphere Currents of Buckminsterfullerene", Angew. Chem. Int. Ed. 44 (2005) 1843–1846; Angew. Chem. 117 (2005) 1877–1880.
    Abstract Full text [icon] Supp info (figures and details) [icon] ChemInform
  10. M.P. Johansson, V.R.I. Kaila, L. Laakkonen, "Charge parameterization of the metal centers in cytochrome c oxidase", J. Comput. Chem. 29 (2008) 753–767.
    Abstract Full text [icon] Supp info (figures, AMBER charges, CHARMM topology files)
  11. A. Jasaitis, M.P. Johansson, M. Wikström, M.H. Vos, M.I. Verkhovsky, "Nanosecond electron tunneling between the hemes in cytochrome bo3", Proc. Natl. Acad. Sci. 104 (2007) 20811–20814.
    Abstract Full text [icon] Commentary by D.N. Beratan & I.A. Balabin [icon] Vir. J. Bio. Phys. Res.
  12. M.P. Johansson, A. Lechtken, D. Schooss, M.M. Kappes, F. Furche, "The 2D–3D transition of gold cluster anions resolved", Phys. Rev. A 77 (2008) 053202/1–7.
    Abstract Full text [icon] Supp info (details and coords) [icon] Vir. J. Nan. Sci. & Tech.
  13. T.I. Pajunen, M.P. Johansson, T. Hase, A. Hopia, "Autoxidation of Conjugated Linoleic Acid Methyl Ester in the Presence of α-Tocopherol: The Hydroperoxide Pathway", Lipids 43 (2008) 599–610.
    Abstract Full text [icon] Edwin Frankel Award for Best Paper in Lipid Oxidation and Quality, 2009
  14. M.P. Johansson, J. Olsen, "Torsional Barriers and Equilibrium Angle of Biphenyl: Reconciling Theory with Experiment", J. Chem. Theory Comput. 4 (2008) 1460–1471.
    Abstract Full text [icon] Supp info (details and coords)
  15. M.P. Johansson, "On the Strong Ring Currents in B20 and Neighboring Boron Toroids", J. Phys. Chem. C 113 (2009) 524–530.
    Abstract Full text [icon] Supp info (details and coords)
  16. C.B. Madsen, L.B. Madsen, S.S. Viftrup, M.P. Johansson, T.B. Poulsen, L. Holmegaard, V. Kumarappan, K.A. Jørgensen, H. Stapelfeldt, "Manipulating the Torsion of Molecules by Strong Laser Pulses", Phys. Rev. Lett. 102 (2009) 073007/1–4.
    Abstract Full text arXiv [icon] Virt. J. Ultrafast Sci.
  17. V.R.I. Kaila, M.P. Johansson, D. Sundholm, L. Laakkonen, M. Wikström, "The chemistry of the CuB site in cytochrome c oxidase and the importance of its unique His–Tyr bond", Biochim. Biophys. Acta – Bioenergetics 1787 (2009) 221–233.
    Abstract Full text
  18. M.P. Johansson, J. Vaara, D. Sundholm, "Exploring the Stability of Golden Fullerenes", J. Phys. Chem. C 112 (2008) 19311–19315.
    Abstract Full text [icon] Supp info (coords)
  19. B. Jansík, S. Høst, M.P. Johansson, J. Olsen, P. Jørgensen, T. Helgaker, "Robust and Reliable Multilevel Minimization of the Kohn–Sham Energy", J. Chem. Theory Comput. 5 (2009) 1027–1032.
    Abstract Full text
  20. R. Send, D. Sundholm, M.P. Johansson, F. Pawlowski, "Excited State Potential Energy Surfaces of Polyenes and Protonated Schiff Bases", J. Chem. Theory Comput. 5 (2009) 2401–2414.
    Abstract Full text
  21. B. Jansík, S. Høst, M.P. Johansson, J. Olsen, P. Jørgensen, T. Helgaker, "A stepwise atomic, valence-molecular, and full-molecular optimisation of the Hartree–Fock/Kohn–Sham energy", Phys. Chem. Chem. Phys. 11 (2009) 5805–5813.
    Abstract Full text
  22. C.B. Madsen, L.B. Madsen, S.S. Viftrup, M.P. Johansson, T.B. Poulsen, L. Holmegaard, V. Kumarappan, K.A. Jørgensen, H. Stapelfeldt, "A combined experimental and theoretical study on realizing and using laser controlled torsion of molecules", J. Chem. Phys. 130 (2009) 234310/1–9.
    Abstract Full text arXiv [icon] Virt. J. Ultrafast Sci.
  23. O. Lehtonen, D. Sundholm, R. Send, M.P. Johansson, "Coupled-Cluster and Density Functional Theory Studies of the Electronic Excitation Spectra of trans-1,3-butadiene and trans-2-propeniminium", J. Chem. Phys. 131 (2009) 024301/1–13.
    Abstract Full text
  24. M.P. Johansson, M. Patzschke, "Fixing the chirality and trapping the transition state of helicene with atomic metal glue", Chem. Eur. J. 15 (2009) 13210–13218.
    Abstract Full text
  25. M.P. Johansson, P. Pyykkö, "WAu12(CO)12?", Chem. Commun. 46 (2010) 3762–3764.
    Abstract Full text
  26. V.R.I. Kaila, M.P. Johansson, D. Sundholm, M. Wikström, "Interheme electron tunneling in cytochrome c oxidase", Proc. Natl. Acad. Sci. 107 (2010) 21470–21475.
    Abstract Full text
  27. M.P. Johansson, M. Swart, "Magnetizabilities at self-interaction corrected density functional theory level", J. Chem. Theory Comput. 6 (2010) 3302–3311.
    Abstract Full text
  28. M.P. Johansson, M. Swart, "Subtle effects control the polymerisation mechanism in α-diimine iron catalysts", Dalton Trans. 40 (2011) 8419–8428.
    Abstract Full text
  29. M.P. Johansson, "Quantum chemical studies of the ground states of the metal centres in haem-copper oxidases" (mini-review), Curr. Inorg. Chem. 2 (2012) 316–324.
    Abstract Full text [icon] Preprint
  30. M. Swart, M.P. Johansson, "Density Functional Study on UV/VIS Spectra of Copper-Protein Active Sites: The Effect of Mutations", Chem. Biodiversity 9 (2012) 1728–1738.
    Abstract Full text
  31. J.L. Hansen, J.H. Nielsen, C.B. Madsen, A.T. Lindhardt, M.P. Johansson, T. Skrydstrup, L.B. Madsen, H. Stapelfeldt, "Control and femtosecond time-resolved imaging of torsion in a chiral molecule", J. Chem. Phys. 136 (2012) 204310/1–10.
    Abstract Full text arXiv [icon] Virt. J. Ultrafast Sci.
  32. A.C. Castro, M.P. Johansson, G. Merino, M. Swart, "Chemical bonding in supermolecular flowers", Phys. Chem. Chem. Phys. 14 (2012) 14905–14910.
    Abstract Full text
  33. M.P. Johansson, M. Swart, "Intramolecular halogen–halogen bonds?", Phys. Chem. Chem. Phys. 15 (2013) 11543–11553.
    Full text
  34. C.S. Slater, S. Blake, M. Brouard, A. Lauer, C. Vallance, J.J. John, R. Turchetta, A. Nomerotski, L. Christensen, J.H. Nielsen, M.P. Johansson, H. Stapelfeldt, "Covariance imaging experiments using a pixel-imaging mass-spectrometry camera", Phys. Rev. A 89 (2014) 011401(R)/1–5.
    Full text
  35. L. Christensen, J.H. Nielsen, C.B. Brandt, C.B. Madsen, L.B. Madsen, C.S. Slater, A. Lauer, M. Brouard, M.P. Johansson, B. Shepperson, H. Stapelfeldt, "Dynamic stark control of torsional motion by a pair of laser pulses", Phys. Rev. Lett. 113 (2014) 073005/1–5.
    Full text
  36. M.P. Johansson, I. Warnke, A. Le, F. Furche, "At What Size do Neutral Gold Clusters Turn Three-Dimensional?", J. Phys. Chem. C 118 (2014) 29370–29377.
    Full text [icon] Chemistry Views highlight
  37. C.S. Slater, S. Blake, M. Brouard, A. Lauer, C. Vallance, C.S. Bohun L. Christensen, J.H. Nielsen, M.P. Johansson, H. Stapelfeldt, "Coulomb-explosion imaging using a pixel-imaging mass-spectrometry camera", Phys. Rev. A 91 (2015) 053424/1–14.
    Full text

Theses [icon]


Book Chapters [icon]


Other, Non-Refereed Articles [icon]


Conferences/Meetings Organised [icon]


Talks [icon]


Poster Presentations [icon]


Finally, a pretty picture (made with gOpenMol):
[spin density in oxidised haem a]
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Mikael Johansson 2002-2013