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2006
Mark Exploring the actinide-actinide bond: Theoretical studies of the chemical bond in Ac-2, Th-2, Pa-2, and U-2
Roos, Björn ^LU ; Malmqvist, Per-Åke ^LU and Gagliardi, Laura (2006) In Journal of the American Chemical Society 128(51). p.17000-17006
- Contribution to journal › Article
Mark The electronic spectrum of AuO: A combined theoretical and experimental study
O'Brien, Leah C. ; Oberlink, Anne E. and Roos, Björn ^LU (2006) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 110(43). p.11954-11957
- Contribution to journal › Article
2005
Mark Ground state and electronic spectrum of Cu(II) and Cu(III) complexes of N,N '-1,2-phenylenebis-2-mercaptoacetamide
Barone, G ; Silvestri, A and Roos, Björn ^LU (2005) In Physical Chemistry Chemical Physics 7(10). p.2126-2130
- Contribution to journal › Article
Mark A very short uranium-uranium bond: The predicted metastable U-2(2+)
Gagliardi, L ; Pyykko, P and Roos, Björn ^LU (2005) In Physical Chemistry Chemical Physics 7(12). p.2415-2417
- Contribution to journal › Article
Mark New relativistic ANO basis sets for transition metal atoms
Roos, Björn ^LU ; Lindh, Roland ^LU ; Malmqvist, Per-Åke ^LU ; Veryazov, Valera ^LU and Widmark, Per-Olof ^LU (2005) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 109(29). p.6575-6579
- Contribution to journal › Article
Mark Excitation energies for transition metal atoms - A comparison between coupled cluster methods and second-order perturbation theory
Raab, Juraj ^LU and Roos, Björn ^LU (2005) In Advances in Quantum Chemistry 48. p.421-433
- Contribution to journal › Scientific review
Mark Theoretical study of PbO and the PbO anion
Ilias, M ; Jensen, H J A ; Kello, V ; Roos, Björn ^LU and Urban, M (2005) In Chemical Physics Letters 408(4-6). p.210-215
- Contribution to journal › Article
Mark The electronic spectrum of the UO2 molecule
Gagliardi, L ; Heaven, M C ; Krogh, Jesper Wisborg ^LU and Roos, Björn ^LU (2005) In Journal of the American Chemical Society 127(1). p.86-91
- Contribution to journal › Article
Mark O2-binding to heme: electronic structure and spectrum of oxyheme, studied by multiconfigurational methods
Jensen, Kasper ^LU ; Roos, Björn ^LU and Ryde, Ulf ^LU (2005) In Journal of Inorganic Biochemistry 99(1). p.45-54
- Contribution to journal › Article
Mark The coordination of uranyl in water: A combined quantum chemical and molecular simulation study
Hagberg, Daniel ^LU ; Karlström, Gunnar ^LU ; Roos, Björn ^LU and Gagliardi, L (2005) In Journal of the American Chemical Society 127(41). p.14250-14256
- Contribution to journal › Article

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