| 1 |
The electronic spectrum of the micro-solvated alanine zwitterion calculated using the combined coupled cluster/molecular mechanics method
Osted A, Kongsted J, Mikkelsen KV, Christiansen O
Chemical Physics Letters, 429(4-6), 430, 2006 |
| 2 |
Uptake of phenol on aerosol particles
Falsig H, Gross A, Kongsted J, Osted A, Sloth M, Mikkelsen KV, Christiansen O
Journal of Physical Chemistry A, 110(2), 660, 2006 |
| 3 |
Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution
Kongsted J, Pedersen TB, Strange M, Osted A, Hansen AE, Mikkelsen KV, Pawlowski F, Jorgensen P, Hattig C
Chemical Physics Letters, 401(4-6), 385, 2005 |
| 4 |
Theoretical study of the electronic gas-phase spectrum of glycine, alanine, and related amines and carboxylic acids
Osted A, Kongsted J, Christiansen O
Journal of Physical Chemistry A, 109(7), 1430, 2005 |
| 5 |
Coupled cluster calculation of the n ->pi* electronic transition of acetone in aqueous solution
Aidas K, Kongsted J, Osted A, Mikkelsen KV, Christiansen O
Journal of Physical Chemistry A, 109(35), 8001, 2005 |
| 6 |
A coupled cluster study of the oriented circular dichroism of the n ->pi* electronic transition in cyclopropanone and natural optical active related structures
Kongsted J, Hansen AE, Pedersen TB, Osted A, Mikkelsen KV, Christiansen O
Chemical Physics Letters, 391(4-6), 259, 2004 |
| 7 |
Second harmonic generation second hyperpolarizability of water calculated using the combined coupled cluster dielectric continuum or different molecular mechanics methods
Kongsted J, Osted A, Mikkelsen KV, Christiansen O
Journal of Chemical Physics, 120(8), 3787, 2004 |
| 8 |
Solvent effects on the n ->pi(*) electronic transition in formaldehyde: A combined coupled cluster/molecular dynamics study
Kongsted J, Osted A, Mikkelsen KV, Astrand PO, Christiansen O
Journal of Chemical Physics, 121(17), 8435, 2004 |
| 9 |
Solvent effects on rotatory strength tensors. 1. Theory and application of the combined coupled cluster/dielectric continuum model
Kongsted J, Pedersen TB, Osted A, Hansen AE, Mikkelsen KV, Christiansen O
Journal of Physical Chemistry A, 108(16), 3632, 2004 |
| 10 |
The n ->pi* electronic transition in microsolvated formaldehyde. A coupled cluster and combined coupled cluster/molecular mechanics study
Kongsted J, Osted A, Pedersen TB, Mikkelsen KV, Christiansen O
Journal of Physical Chemistry A, 108(41), 8624, 2004 |
