| 1 |
Accurate Computed Enthalpies of Spin Crossover in Iron and Cobalt Complexes
Jensen KP, Cirera J
Journal of Physical Chemistry A, 113(37), 10033, 2009 |
| 2 |
Metal-Ligand Bonds of Second- and Third-Row d-Block Metals Characterized by Density Functional Theory
Jensen KP
Journal of Physical Chemistry A, 113(37), 10133, 2009 |
| 3 |
Peroxo-Type Intermediates in Class I Ribonucleotide Reductase and Related Binuclear Non-Heme Iron Enzymes
Jensen KP, Bell CB, Clay MD, Solomon EI
Journal of the American Chemical Society, 131(34), 12155, 2009 |
| 4 |
Bioinorganic Chemistry Modeled with the TPSSh Density Functional
Jensen KP
Inorganic Chemistry, 47(22), 10357, 2008 |
| 5 |
Computational Chemistry of Modified [MFe3S4] and [M2Fe2S4] Clusters: Assessment of Trends in Electronic Structure and Properties
Jensen KP, Ooi BL, Christensen HEM
Journal of Physical Chemistry A, 112(50), 12829, 2008 |
| 6 |
Improved interaction potentials for charged residues in proteins
Jensen KP
Journal of Physical Chemistry B, 112(6), 1820, 2008 |
| 7 |
Accurate computation of reduction potentials of 4Fe-4S clusters indicates a carboxylate shift in Pyrococcus furiosus ferredoxin
Jensen KP, Ooi BL, Christensen HEM
Inorganic Chemistry, 46(21), 8710, 2007 |
| 8 |
Electronic structure of cob(I)alamin: The story of an unusual nucleophile
Jensen KP
Journal of Physical Chemistry B, 109(20), 10505, 2005 |
| 9 |
How the Co-C bond is cleaved in coenzyme B-12 enzymes: A theoretical study
Jensen KP, Ryde U
Journal of the American Chemical Society, 127(25), 9117, 2005 |
| 10 |
The allyl radical revisited: a theoretical study of the electronic spectrum
Aquilante F, Jensen KP, Roos BO
Chemical Physics Letters, 380(5-6), 689, 2003 |
