Kongsted J - Search Results

1

Prediction of spin-spin coupling constants in solution based on combined density functional theory/molecular mechanics.

Møgelhøj A, Aidas K, Mikkelsen KV, Sauer SP, Kongsted J. Møgelhøj A, et al. Among authors: kongsted j. J Chem Phys. 2009 Apr 7;130(13):134508. doi: 10.1063/1.3098255. J Chem Phys. 2009. PMID: 19355752

2

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. Kongsted J, et al. J Chem Phys. 2004 Feb 22;120(8):3787-98. doi: 10.1063/1.1642593. J Chem Phys. 2004. PMID: 15268543

3

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. Kongsted J, et al. J Chem Phys. 2004 Nov 1;121(17):8435-45. doi: 10.1063/1.1804957. J Chem Phys. 2004. PMID: 15511167

4

Uptake of phenol on aerosol particles.

Falsig H, Gross A, Kongsted J, Osted A, Sloth M, Mikkelsen KV, Christiansen O. Falsig H, et al. Among authors: kongsted j. J Phys Chem A. 2006 Jan 19;110(2):660-70. doi: 10.1021/jp0536201. J Phys Chem A. 2006. PMID: 16405338

5

Coupled cluster and density functional theory studies of the vibrational contribution to the optical rotation of (S)-propylene oxide.

Kongsted J, Pedersen TB, Jensen L, Hansen AE, Mikkelsen KV. Kongsted J, et al. J Am Chem Soc. 2006 Jan 25;128(3):976-82. doi: 10.1021/ja056611e. J Am Chem Soc. 2006. PMID: 16417389

6

Statistical mechanically averaged molecular properties of liquid water calculated using the combined coupled cluster/molecular dynamics method.

Osted A, Kongsted J, Mikkelsen KV, Astrand PO, Christiansen O. Osted A, et al. Among authors: kongsted j. J Chem Phys. 2006 Mar 28;124(12):124503. doi: 10.1063/1.2176615. J Chem Phys. 2006. PMID: 16599693

7

Coupled cluster calculation of the n --> pi* electronic transition of acetone in aqueous solution.

Aidas K, Kongsted J, Osted A, Mikkelsen KV, Christiansen O. Aidas K, et al. Among authors: kongsted j. J Phys Chem A. 2005 Sep 8;109(35):8001-10. doi: 10.1021/jp0527094. J Phys Chem A. 2005. PMID: 16834182

8

Automatic generation of force fields and property surfaces for use in variational vibrational calculations of anharmonic vibrational energies and zero-point vibrational averaged properties.

Kongsted J, Christiansen O. Kongsted J, et al. J Chem Phys. 2006 Sep 28;125(12):124108. doi: 10.1063/1.2352734. J Chem Phys. 2006. PMID: 17014167

9

Two-photon absorption cross sections: an investigation of solvent effects. Theoretical studies on formaldehyde and water.

Paterson MJ, Kongsted J, Christiansen O, Mikkelsen KV, Nielsen CB. Paterson MJ, et al. Among authors: kongsted j. J Chem Phys. 2006 Nov 14;125(18):184501. doi: 10.1063/1.2363997. J Chem Phys. 2006. PMID: 17115759

10

Linear response functions for a vibrational configuration interaction state.

Christiansen O, Kongsted J, Paterson MJ, Luis JM. Christiansen O, et al. Among authors: kongsted j. J Chem Phys. 2006 Dec 7;125(21):214309. doi: 10.1063/1.2400226. J Chem Phys. 2006. PMID: 17166023

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

222 results

Search Page

Filters