Kurt V. Mikkelsen
Kurt V. Mikkelsen
Professor of Theoretical Chemistry, Department of Chemistry, University of Copenhagen
Verified email at chem.ku.dk
Title
Cited by
Cited by
Year
Investigation of the temperature dependence of dielectric relaxation in liquid water by THz reflection spectroscopy and molecular dynamics simulation
C Ro/nne, L Thrane, PO Åstrand, A Wallqvist, KV Mikkelsen, SR Keiding
The Journal of chemical physics 107 (14), 5319-5331, 1997
5791997
The D alton quantum chemistry program system
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 269-284, 2014
5782014
Electron tunneling in solid-state electron-transfer reactions
KV Mikkelsen, MA Ratner
Chemical Reviews 87 (1), 113-153, 1987
3691987
L. Thø gersen, O. Vahtras, MA Watson, DJD Wilson, M. Ziolkowski, and H. Ågren
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
Wiley Interdiscip. Rev.: Comput. Mol. Sci 4, 269, 2014
347*2014
DALTON, a molecular electronic structure program
T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ...
Release 1, 63, 2001
2872001
On the accurate calculation of polarizabilities and second hyperpolarizabilities of polyacetylene oligomer chains using the CAM-B3LYP density functional
PA Limacher, KV Mikkelsen, HP Lüthi
The Journal of chemical physics 130 (19), 194114, 2009
2382009
A multiconfigurational self‐consistent reaction‐field method
KV Mikkelsen, H Ågren, HJA Jensen, T Helgaker
The Journal of chemical physics 89 (5), 3086-3095, 1988
2381988
Polarizability of molecular clusters as calculated by a dipole interaction model
L Jensen, PO Åstrand, A Osted, J Kongsted, KV Mikkelsen
The Journal of chemical physics 116 (10), 4001-4010, 2002
1952002
Two-photon photosensitized production of singlet oxygen in water
PK Frederiksen, SP McIlroy, CB Nielsen, L Nikolajsen, E Skovsen, ...
Journal of the American Chemical Society 127 (1), 255-269, 2005
1942005
Solvent induced polarizabilities and hyperpolarizabilities of para‐nitroaniline studied by reaction field linear response theory
KV Mikkelsen, Y Luo, H Ågren, P Jo/rgensen
The Journal of chemical physics 100 (11), 8240-8250, 1994
1831994
A multiconfiguration self‐consistent reaction field response method
KV Mikkelsen, P Jo/rgensen, HJA Jensen
The Journal of chemical physics 100 (9), 6597-6607, 1994
1541994
Electron-transfer reactions in solution: an ab initio approach
KV Mikkelsen, E Dalgaard, P Swanstroem
Journal of Physical Chemistry 91 (11), 3081-3092, 1987
1391987
Two-photon photosensitized production of singlet oxygen: sensitizers with phenylene− ethynylene-based chromophores
SP McIlroy, E Cló, L Nikolajsen, PK Frederiksen, CB Nielsen, ...
The Journal of organic chemistry 70 (4), 1134-1146, 2005
1322005
Density functional self-consistent quantum mechanics/molecular mechanics theory for linear and nonlinear molecular properties: Applications to solvated water and formaldehyde
CB Nielsen, O Christiansen, KV Mikkelsen, J Kongsted
The Journal of chemical physics 126 (15), 154112, 2007
1312007
Linear response functions for coupled cluster/molecular mechanics including polarization interactions
J Kongsted, A Osted, KV Mikkelsen, O Christiansen
The Journal of chemical physics 118 (4), 1620-1633, 2003
1302003
Introduction to molecular dynamics and chemical kinetics
GD Billing, KV Mikkelsen
1301996
The QM/MM approach for wavefunctions, energies and response functions within self-consistent field and coupled cluster theories
J Kongsted, A Osted, KV Mikkelsen, O Christiansen
Molecular Physics 100 (11), 1813-1828, 2002
1222002
Multiconfigurational self‐consistent reaction field theory for nonequilibrium solvation
KV Mikkelsen, A Cesar, H Ågren, HJA Jensen
The Journal of chemical physics 103 (20), 9010-9023, 1995
1161995
Assessment of density functional theory in predicting structures and free energies of reaction of atmospheric prenucleation clusters
J Elm, M Bilde, KV Mikkelsen
Journal of chemical theory and computation 8 (6), 2071-2077, 2012
1152012
Coupled cluster calculation of the n→ π* electronic transition of acetone in aqueous solution
K Aidas, J Kongsted, A Osted, KV Mikkelsen, O Christiansen
The Journal of Physical Chemistry A 109 (35), 8001-8010, 2005
1112005
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Articles 1–20