עקוב אחר
Kurt V. Mikkelsen
Kurt V. Mikkelsen
Professor of Theoretical Chemistry, Department of Chemistry, University of Copenhagen
כתובת אימייל מאומתת בדומיין chem.ku.dk
כותרת
צוטט על ידי
צוטט על ידי
שנה
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
14032014
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
7181997
Electron tunneling in solid-state electron-transfer reactions
KV Mikkelsen, MA Ratner
Chemical Reviews 87 (1), 113-153, 1987
4051987
DALTON, a molecular electronic structure program
T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ...
Release 1, 63, 2001
3502001
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), 2009
2972009
A multiconfigurational self‐consistent reaction‐field method
KV Mikkelsen, H Ågren, HJ Jensen, T Helgaker
The Journal of chemical physics 89 (5), 3086-3095, 1988
2441988
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
2422002
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
2262005
Solvent induced polarizabilities and hyperpolarizabilities of para‐nitroaniline studied by reaction field linear response theory
KV Mikkelsen, Y Luo, H Ågren
The Journal of chemical physics 100 (11), 8240-8250, 1994
1981994
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
1862012
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
1661994
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), 2007
1612007
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
1502005
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
1472002
Electron-transfer reactions in solution: an ab initio approach
KV Mikkelsen, E Dalgaard, P Swanstroem
Journal of Physical Chemistry 91 (11), 3081-3092, 1987
1471987
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
1442003
Assessment of binding energies of atmospherically relevant clusters
J Elm, M Bilde, KV Mikkelsen
Physical Chemistry Chemical Physics 15 (39), 16442-16445, 2013
1352013
Introduction to molecular dynamics and chemical kinetics
GD Billing, KV Mikkelsen, DG Truhlar
Physics Today 49 (10), 74-76, 1996
1341996
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
1242005
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
1201995
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מאמרים 1–20