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2010
Mark On the Analysis of the Cr-Cr Multiple Bond in Several Classes of Dichromium Compounds
La Macchia, G. ; Manni, G. Li ; Todorova, T. K. ; Brynda, M. ; Aquilante, F. ; Roos, Björn ^LU and Gagliardi, L. (2010) In Inorganic Chemistry 49(11). p.5216-5222
- Contribution to journal › Article
2006
Mark Quantum chemistry predicts multiply bonded diuranium compounds to be stable
Roos, Björn ^LU and Gagliardi, L (2006) In Inorganic Chemistry 45(2). p.803-807
- Contribution to journal › Article
Mark A quantum chemical study of the quintuple bond between two chromium centers in [PhCrCrPh]: trans-bent versus linear geometry
Brynda, M ; Gagliardi, L ; Widmark, Per-Olof ^LU ; Power, PP and Roos, Björn ^LU (2006) In Angewandte Chemie (International edition) 45(23). p.3804-3807
- Contribution to journal › Article
2005
Mark Quantum chemical calculations show that the uranium molecule U-2 has a quintuple bond
Gagliardi, L and Roos, Björn ^LU (2005) In Nature 433(7028). p.848-851
- 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 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
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
2003
Mark The Electronic Spectrum of Re2Cl82-: A Theoretical Study
Gagliardi, L and Roos, Björn ^LU (2003) In Inorganic Chemistry 42(5). p.1599-1603
- Contribution to journal › Article
Mark On the reaction of a uranium atom with a nitrogen molecule: a theoretical attempt
Gagliardi, L. ; La Manna, G. and Roos, Björn ^LU (2003) In Faraday Discussions 124. p.63-68
- Contribution to journal › Article
Mark The ground state and electronic spectrum of CUO - a mystery.
Roos, Björn ^LU ; Widmark, Per-Olof ^LU and Gagliardi, L (2003) In Faraday Discussions 124. p.57-62
- Contribution to journal › Article

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