Supplementary Information

Index

• M.P. Johansson, "On the Strong Ring Currents in B₂₀ and Neighboring Boron Toroids", J. Phys. Chem. C 113 (2009) 524–530.

• M.P. Johansson, J. Olsen, "Torsional Barriers and Equilibrium Angle of Biphenyl: Reconciling Theory with Experiment", J. Chem. Theory Comput. 4 (2008) 1460–1471.

• 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.

• 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.

• 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.

• M.P. Johansson, P. Pyykkö, "The importance of being tetrahedral: the cadmium pyramids Cd_N; N = 4, 10, 20, 35 and 56", Phys. Chem. Chem. Phys. 6 (2004) 2907–2909.

• 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.

• 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.

• 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.

• J. Jusélius, M. Straka, D. Sundholm, "Magnetic Shielding Calculations on Al₄^2- and Analogues. A New Family of Aromatic Molecules?", J. Phys. Chem. A 105 (2001) 9939–9944.

• J. Jusélius, D. Sundholm, "The Aromaticity and Antiaromaticity of Dehydroannulene", Phys. Chem. Chem. Phys. 3 (2001) 2433–2437.

• J. Jusélius, D. Sundholm, "The Aromatic Character of Magnesium Porphyrins", J. Org. Chem. 65 (2000) 5233–5237.

• D. Sundholm, "Interpretation of the Electronic Absorption Spectrum of Free-base Porphin using Time-dependent Density-functional Theory", Phys. Chem. Chem. Phys. 2 (2000) 2275–2281.

• J. Jusélius, D. Sundholm, "The Aromatic Pathways of Porphins, Chlorins and Bacteriochlorins", Phys. Chem. Chem. Phys. 2 (2000) 2145–2151.

• D. Sundholm, "Comparison of the Electronic Excitation Spectra of Chlorophyll a and Pheophytin a Calculated at Density-functional-theory Level", Chem. Phys. Letters 317 (2000) 545–552.

• D. Sundholm, "Density-Functional-Theory Study of the Electronic Absorption Spectrum of Mg-porphyrin and Mg-etioporphyrin-I", Chem. Phys. Letters 317 (2000) 392–399.

• D. Sundholm, "Density Functional Theory Calculations of the Visible Spectrum of Chlorophyll a", Chem. Phys. Letters 302 (1999) 480–484.

• J. Jusélius, D. Sundholm, "Ab Initio Determination of the Induced Ring Current in Aromatic Molecules", Phys. Chem. Chem. Phys. 1 (1999) 3429–3435.

• D. Sundholm, H. Konschin, M. Häser, "An Ab Initio Study of the Structure and Energetics of Free-Base Bonellin-Dimethylester Isomers and Transition States", Chem. Eur. J. 5 (1999) 267–273.