Dage Sundholm
Dage Sundholm
Professor in theoretical and computational chemistry
Verifierad e-postadress på helsinki.fi
Citeras av
Citeras av
Au32: A 24‐Carat Golden Fullerene
MP Johansson, D Sundholm, J Vaara
Angewandte Chemie 116 (20), 2732-2735, 2004
Fully numerical Hartree-Fock methods for molecules
L Laaksonen, P Pyykkö, D Sundholm
Computer physics reports 4 (5), 313-344, 1986
Calculation of current densities using gauge-including atomic orbitals
J Jusélius, D Sundholm, J Gauss
The Journal of chemical physics 121 (9), 3952-3963, 2004
Density functional theory calculations of the visible spectrum of chlorophyll a
D Sundholm
Chemical physics letters 302 (5-6), 480-484, 1999
The gauge including magnetically induced current method
H Fliegl, S Taubert, O Lehtonen, D Sundholm
Physical Chemistry Chemical Physics 13 (46), 20500-20518, 2011
Rovibrationally averaged nuclear magnetic shielding tensors calculated at the coupled‐cluster level
D Sundholm, J Gauss, A Schäfer
The Journal of chemical physics 105 (24), 11051-11059, 1996
Ab initio determination of the induced ring current in aromatic molecules
J Juselius, D Sundholm
Physical Chemistry Chemical Physics 1 (15), 3429-3435, 1999
Repulsive interatomic potentials calculated using Hartree-Fock and density-functional theory methods
K Nordlund, N Runeberg, D Sundholm
Nuclear Instruments and Methods in Physics Research Section B: Beam …, 1997
A numerical Hartree-Fock program for diatomic molecules
J Kobus, L Laaksonen, D Sundholm
Computer physics communications 98 (3), 346-358, 1996
Luminescent Characterization of Solution Oligomerization Process Mediated Gold−Gold Interactions. DFT Calculations on [Au2Ag2R4L2]n Moieties
EJ Fernandez, MC Gimeno, A Laguna, JM Lopez-de-Luzuriaga, M Monge, ...
Journal of the American Chemical Society 122 (30), 7287-7293, 2000
Interpretation of the electronic absorption spectrum of free-base porphin using time-dependent density-functional theory
D Sundholm
Physical Chemistry Chemical Physics 2 (10), 2275-2281, 2000
The aromatic pathways of porphins, chlorins and bacteriochlorins
J Jusélius, D Sundholm
Physical Chemistry Chemical Physics 2 (10), 2145-2151, 2000
Magnetically induced current densities in aromatic, antiaromatic, homoaromatic, and nonaromatic hydrocarbons
H Fliegl, D Sundholm, S Taubert, J Jusélius, W Klopper
The Journal of Physical Chemistry A 113 (30), 8668-8676, 2009
Two-dimensional, fully numerical molecular calculations: X. Hartree-fock results for He2, Li2, Be2, HF, OH-, N2, CO, BF, NO+ and CN-
D Sundholm, P Pyykkö, L Laaksonen
Molecular Physics 56 (6), 1411-1418, 1985
Magnetic-Shielding Calculations on Al42-and Analogues. A New Family of Aromatic Molecules?
J Jusélius, M Straka, D Sundholm
The Journal of Physical Chemistry A 105 (43), 9939-9944, 2001
Calculations of magnetically induced current densities: theory and applications
D Sundholm, H Fliegl, RJF Berger
Wiley Interdisciplinary Reviews: Computational Molecular Science 6 (6), 639-678, 2016
Sphere currents of buckminsterfullerene
MP Johansson, J Jusélius, D Sundholm
Angewandte Chemie 117 (12), 1877-1880, 2005
Properties of WAu 12
J Autschbach, BA Hess, MP Johansson, J Neugebauer, M Patzschke, ...
Physical Chemistry Chemical Physics 6 (1), 11-22, 2004
Nuclear quadrupole moment of lithium from combined fully numerical and discrete basis-set calculations on LiH
D Sundholm, P Pyykkö, L Laaksonen, AJ Sadlej
Chemical physics letters 112 (1), 1-9, 1984
Two‐dimensional fully numerical solutions of molecular Schrödinger equations. I. One‐electron molecules
L Laaksonen, P Pyykkö, D Sundholm
International Journal of Quantum Chemistry 23 (1), 309-317, 1983
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