Scientific publications

1. Jusélius J. and Sundholm D., Ab initio determination of the induced ring current in aromatic molecules, Phys. Chem. Chem. Phys., 1 3429 (1999) (pdf).
2. Jusélius J. and Sundholm D., The aromatic pathways of porphins, chlorins and bachteriochlorins, Phys. Chem. Chem. Phys., 2 2145 (2000) (pdf).
3. Jusélius J. and Sundholm D., The aromatic character of magnesium porphyrins, J. Org. Chem., 65 5233 (2000).
4. Jusélius J. and Sundholm D., The aromaticity and antiaromaticity of dehydroannulenes, Phys. Chem. Chem. Phys., 3 2433 (2001) (pdf).
5. Jusélius J., Straka M. and Sundholm D., Magnetic Shielding Calculations on Al₄^2- and Analogues, J. Phys. Chem. A, 105 9939 (2001).
6. Berger R.J.F., Schmidt M.A., Jusélius J., Sundholm D. and Schmidbaur H., Tetraberyllium--oxo-hexa(arylcarboxylates), Z. Naturforsch., 56b 979 (2001).
7. Jusélius J., Patzschke M. and Sundholm D., Calculation of Ring-Current Suceptibilites for Potentially Homoaromatic Hydrocarbons, J. Mol. Struct (Theochem), 633 123 (2003).
8. Maçôas E. M. S., Khriachtchev L., Petterson M., Jusélius J., Fausto R., and Räsänen M., Reactive vibrational excitation spectroscopformic acid in solid argon: Quantum yield for infrared induced trans-cis isomerization and solid state effects on the vibrational spectrum, J. Chem. Phys., 119 11765 (2004) (pdf).
9. Jusélius J., Sundholm D. and Gauss J., Calculation of Current Densities using Gauge-Including Atomic Orbitals, J. Chem. Phys., 121 3952 (2004) (pdf).
10. Khriachtchev L., Jusélius J., Lignell A., Räsänen M. and SavcInfrared absorption spectrum of matrix-isolated noble-gas hydride molecules: Fingerprints of specific interactions and hindered rotation, J. Chem. Phys., 122 14510 (2005) (pdf).
11. Sundholm D., Johansson M., and Jusélius J., Sphere Currents of Buckminsterfullerene, Angew. Chem. Int. Ed., 44 1843 (2005).
12. Y. C. Lin, J. Jusélius, D. Sundholm, and J. Gauss, Magnetically induced current Densities in Al₄^2- and Al₄^4- species studied at the coupled-cluster level, J. Chem. Phys., 122 214308 (2005) (pdf).
13. Jusélius J. and Johansson M. P., Arsole Aromaticity Revisited, Lett. Org. Chem., 2 469 (2005).
14. Y. C. Lin, D. Sundholm and J. Jusélius, On the aromaticity of the planar hydrogen bonded (HF)_3 trimer, J. Chem. Theor. Comp., (accepted).
15. Y. C. Lin, D. Sundholm, J. Jusélius, L.-F. Cui, X. Li, H.-J. Zhai, and L.-S. Wang, Experimental and Computational Studies of Alkali-Metal Coinage-Metal Clusters J. Phys. Chem. A, (accepted).