| 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 | 1634 | 2014 |
| 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 | 754 | 1997 |
| Electron tunneling in solid-state electron-transfer reactions KV Mikkelsen, MA Ratner Chemical Reviews 87 (1), 113-153, 1987 | 414 | 1987 |
| DALTON, a molecular electronic structure program T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ... Release 1, 63, 2001 | 350 | 2001 |
| 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 | 315 | 2009 |
| 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 | 251 | 2002 |
| 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 | 250 | 1988 |
| 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 | 235 | 2005 |
| 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 | 213 | 2012 |
| 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 | 209 | 1994 |
| A multiconfiguration self-consistent reaction field response method KV Mikkelsen, P Jørgensen, JHJ Aagaard Journal of Chemical Physics 100 (9), 6597-6607, 1994 | 175 | 1994 |
| 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 | 172 | 2007 |
| 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 | 161 | 2002 |
| Assessment of binding energies of atmospherically relevant clusters J Elm, M Bilde, KV Mikkelsen Physical Chemistry Chemical Physics 15 (39), 16442-16445, 2013 | 159 | 2013 |
| 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 | 155 | 2005 |
| Electron-transfer reactions in solution: an ab initio approach KV Mikkelsen, E Dalgaard, P Swanstroem Journal of Physical Chemistry 91 (11), 3081-3092, 1987 | 154 | 1987 |
| 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 | 153 | 2003 |
| Introduction to molecular dynamics and chemical kinetics GD Billing, KV Mikkelsen, DG Truhlar Physics Today 49 (10), 74-76, 1996 | 146 | 1996 |
| Single-molecule detection of dihydroazulene photo-thermal reaction using break junction technique C Huang, M Jevric, A Borges, ST Olsen, JM Hamill, JT Zheng, Y Yang, ... Nature communications 8 (1), 15436, 2017 | 144 | 2017 |
| 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 | 127 | 2005 |
Jacob KongstedUniverity of Southern DenmarkVerified email at sdu.dk
