In NorwegianHopmann, Kathrin Helen
Department of Chemistry
Phone
(+47) 776 23109
E-mail
Office/visiting address
Farmasibygget
FARMASILOFTET
Publications in CRIStin
- Li, Xiaojun; Hopmann, Kathrin Helen; Hudecova, Jana; Isaksson, Johan; Novotná, Jana; Stensen, Wenche; Andrushchenko, Valery; Urbanová, Marie; Svendsen, John Sigurd; Bour, Petr; Ruud, Kenneth. Determination of Absolute Configuration and Conformation of a Cyclic Dipeptide by NMR and Chiral Spectroscopic Methods. Journal of Physical Chemistry A 2013; Volum 117 (8). ISSN 1089-5639.s 1721 - 1736.s doi: 10.1021/jp311151h.
- Hudecova, Jana; Hopmann, Kathrin Helen; Bour, Petr. Correction of Vibrational Broadening in Molecular Dynamics Clusters with the Normal Mode Optimization Method. Journal of Physical Chemistry B 2012; Volum 116 (1). ISSN 1520-6106.s 336 - 342.s doi: 10.1021/jp208785a.
- Hopmann, Kathrin Helen; Šebestík, Jaroslav; Novotná, Jana; Stensen, Wenche; Urbanová, Marie; Svenson, Johan; Svendsen, John Sigurd; Bour, Petr; Ruud, Kenneth. Determining the Absolute Configuration of Two Marine Compounds Using Vibrational Chiroptical Spectroscopy. Journal of Organic Chemistry 2012; Volum 77 (2). ISSN 0022-3263.s 858 - 869.s doi: 10.1021/jo201598x.
- Li, Xiaojun; Hopmann, Kathrin Helen; Hudecova, Jana; Stensen, Wenche; Novotná, Jana; Urbanová, Marie; Svendsen, John Sigurd; Bour, Petr; Ruud, Kenneth. Absolute Configuration of a Cyclic Dipeptide Reflected in Vibrational Optical Activity: Ab Initio and Experimental Investigation. Journal of Physical Chemistry A 2012; Volum 116 (10). ISSN 1089-5639.s 2554 - 2563.s doi: 10.1021/jp211454v.
- Hopmann, Kathrin Helen; Ghosh, Abhik. Mechanism of Cobalt-Porphyrin-Catalyzed Aziridination. Journal of the American Chemical Society 2011; Volum 1 (6). ISSN 0002-7863.s 597 - 600.s doi: 10.1021/cs1001114.
- Hopmann, Kathrin Helen; Ruud, Kenneth; Pecul, Magdalena; Kudelski, Andrzej; Dracinsky, Martin; Bour, Petr. Explicit versus Implicit Solvent Modeling of Raman Optical Activity Spectra. Journal of Physical Chemistry B 2011; Volum 115 (14). ISSN 1520-6106.s 4128 - 4137.s doi: 10.1021/jp110662w.
- Sandala, Gregory M.; Hopmann, Kathrin Helen; Ghosh, Abhik; Noodleman, Louis. Calibration of DFT Functionals for the Prediction of Fe-57 Mossbauer Spectral Parameters in Iron-Nitrosyl and Iron-Sulfur Complexes: Accurate Geometries Prove Essential. Journal of Chemical Theory and Computation 2011; Volum 7 (10). ISSN 1549-9618.s 3232 - 3247.s doi: 10.1021/ct200187d.
- Hopmann, Kathrin Helen; Cardey, Bruno; Gladwin, Mark T.; Kim-Shapiro, Daniel B.; Ghosh, Abhik. Hemoglobin as a Nitrite Anhydrase: Modeling Methemoglobin-Mediated N2O3 Formation. Chemistry - A European Journal 2011; Volum 17 (23). ISSN 0947-6539.s 6348 - 6358.s doi: 10.1002/chem.201003578.
- Hopmann, Kathrin Helen; Bayer, Annette. On the Mechanism of Iridium-Catalyzed Asymmetric Hydrogenation of Imines and Alkenes: A Theoretical Study. Organometallics 2011; Volum 30 (9). ISSN 0276-7333.s 2483 - 2497.s doi: 10.1021/om1009507.
- Conradie, Jeanet; Hopmann, Kathrin Helen; Ghosh, Abhik. Understanding the Unusually Straight: A Search For MO Insights into Linear {FeNO}(7) Units. Journal of Physical Chemistry B 2010; Volum 114 (25). ISSN 1520-6106.s 8517 - 8524.s doi: 10.1021/jp101847y.
- Hopmann, Kathrin Helen; Stuurman, Nomampondomise F.; Muller, Alfred; Conradie, Jeanet. Substitution and Isomerization of Asymmetric beta-Diketonato Rhodium(I) Complexes: A Crystallographic and Computational Study. Organometallics 2010; Volum 29 (11). ISSN 0276-7333.s 2446 - 2458.s doi: 10.1021/om1000138.
- Hopmann, Kathrin Helen; Noodleman, L; Ghosh, Abhik. Spin Coupling in Roussin's Red and Black Salts. Chemistry - A European Journal 2010; Volum 16 (34). ISSN 0947-6539.s 10397 - 10408.s doi: 10.1002/chem.200903344.
- Hopmann, Kathrin Helen; Conradie, J. Density Functional Theory Study of Substitution at the Square-Planar Acetylacetonato-dicarbonyl-rhodium(I) Complex. Organometallics 2009; Volum 28 (13). ISSN 0276-7333.s 3710 - 3715.s doi: 10.1021/om900133s.
- Hopmann, Kathrin Helen; Ghosh, Abhik; Noodleman, L. Density Functional Theory Calculations on Mossbauer Parameters of Nonheme Iron Nitrosyls. Inorganic Chemistry 2009; Volum 48 (19). ISSN 0020-1669.s 9155 - 9165.s doi: 10.1021/ic9008784.
- Hopmann, Kathrin Helen; Conradie, Jeanet; Ghosh, Abhik. Broken-Symmetry DFT Spin Densities of Iron Nitrosyls, Including Roussin's Red and Black Salts: Striking Differences between Pure and Hybrid Functionals. Journal of Physical Chemistry B 2009; Volum 113 (30). ISSN 1520-6106.s 10540 - 10547.s doi: 10.1021/jp904135h.