Dage Sundholm

Research interests

Publications

• Aromaticity: Quo Vadis

  Chemical Science · 2023 · https://doi.org/10.1039/d2sc04998h

• Benchmarking the Performance of Time-Dependent Density Functional Theory Methods on Biochromophores

  Journal of Chemical Theory and Computation · 2019 · https://doi.org/10.1021/acs.jctc.9b00823

• Cyclo[18]carbon: Insight into Electronic Structure, Aromaticity, and Surface Coupling

  The Journal of Physical Chemistry Letters · 2019 · https://doi.org/10.1021/acs.jpclett.9b02815

• Calculations of magnetically induced current densities: theory and applications

  Wiley Interdisciplinary Reviews Computational Molecular Science · 2016 · https://doi.org/10.1002/wcms.1270

• Calculation of spin-current densities using gauge-including atomic orbitals

  The Journal of Chemical Physics · 2011 · https://doi.org/10.1063/1.3549567

• The gauge including magnetically induced current method

  Physical Chemistry Chemical Physics · 2011 · https://doi.org/10.1039/c1cp21812c

• Magnetically Induced Current Densities in Aromatic, Antiaromatic, Homoaromatic, and Nonaromatic Hydrocarbons

  The Journal of Physical Chemistry A · 2009 · https://doi.org/10.1021/jp9029776

• Calculation of current densities using gauge-including atomic orbitals

  The Journal of Chemical Physics · 2004 · https://doi.org/10.1063/1.1773136

• Au32: A 24‐Carat Golden Fullerene

  Angewandte Chemie International Edition · 2004 · 10.1002/anie.200453986

• Luminescent Characterization of Solution Oligomerization Process Mediated Gold−Gold Interactions. DFT Calculations on [Au 2 Ag 2 R 4 L 2 ] n Moieties

  Journal of the American Chemical Society · 2000 · https://doi.org/10.1021/ja9942540

• Density functional theory calculations of the visible spectrum of chlorophyll a

  Chemical Physics Letters · 1999 · https://doi.org/10.1016/s0009-2614(99)00194-3

• Ab initio determination of the induced ring current in aromatic molecules

  Physical Chemistry Chemical Physics · 1999 · https://doi.org/10.1039/a903847g

• Repulsive interatomic potentials calculated using Hartree-Fock and density-functional theory methods

  Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms · 1997 · https://doi.org/10.1016/s0168-583x(97)00447-3

• Rovibrationally averaged nuclear magnetic shielding tensors calculated at the coupled-cluster level

  The Journal of Chemical Physics · 1996 · https://doi.org/10.1063/1.472905

• Fully numerical hartree-fock methods for molecules

  Computer Physics Reports · 1986 · https://doi.org/10.1016/0167-7977(86)90021-3

Current projects

No projects listed.