Björn Roos (Former)

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2016
Mark Multiconfigurational Quantum Chemistry
Roos, Björn O. ^LU ; Lindh, Roland ^LU ; Malmqvist, Perske ^LU ; Veryazov, Valera ^LU and Widmark, Per Olof ^LU (2016)
- Book/Report › Book
2011
Mark How to Select Active Space for Multiconfigurational Quantum Chemistry?
Veryazov, Valera ^LU ; Malmqvist, Per-Åke ^LU and Roos, Björn ^LU (2011) In International Journal of Quantum Chemistry 111(13). p.3329-3338
- Contribution to journal › Article
2010
Mark Electronic structure and chemical bonding in W-2 molecule
Borin, Antonio Carlos ; Gobbo, Joao Paulo and Roos, Björn ^LU (2010) In Chemical Physics Letters 490(1-3). p.24-28
- Contribution to journal › Article
Mark Software News and Update MOLCAS 7: The Next Generation
Aquilante, Francesco ; De Vico, Luca ; Ferre, Nicolas ; Ghigo, Giovanni ; Malmqvist, Per-Åke ^LU ; Neogrady, Pavel ; Pedersen, Thomas Bondo ; Pitonak, Michal ; Reiher, Markus and Roos, Björn ^LU , et al. (2010) In Journal of Computational Chemistry 31(1). p.224-247
- Contribution to journal › Scientific review
Mark CrRb: A molecule with large magnetic and electric dipole moments
Pavlovic, Z. ; Sadeghpour, H. R. ; Cote, R. and Roos, Björn ^LU (2010) In Physical Review A (Atomic, Molecular and Optical Physics) 81(5).
- Contribution to journal › Article
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
Mark Basis set representation of the electron density at an atomic nucleus
Mastalerz, Remigius ; Widmark, Per-Olof ^LU ; Roos, Björn ^LU ; Lindh, Roland and Reiher, Markus (2010) In Journal of Chemical Physics 133(14).
- Contribution to journal › Article
Mark Matrix infrared spectra and electronic structure calculations of the first actinide borylene: FB=ThF2
Wang, Xuefeng ; Roos, Björn ^LU and Andrews, Lester (2010) In Chemical Communications 46(10). p.1646-1648
- Contribution to journal › Article
Mark Bonding Trends in Molecular Compounds of Lanthanides: The Double-Bonded Carbene Cations LnCH(2) (+) (Ln=Sc, Y, La-Lu).
Roos, Björn ^LU and Pyykkö, Pekka (2010) In Chemistry: A European Journal 16(1). p.270-275
- Contribution to journal › Article
Mark Calculations and Matrix Infrared Spectra of Terminal Borylene Complexes FB=MF2
Wang, Xuefeng ; Roos, Björn ^LU and Andrews, Lester (2010) In Angewandte Chemie (International edition) 49(1). p.157-160
- Contribution to journal › Article

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