Björn O. Roos

Physics and Astronomy · Physical Sciences

82h-index42.3kcitations364works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(191), Photochemistry and Electron Transfer Studies(64), Spectroscopy and Quantum Chemical Studies(60), Atomic and Molecular Physics(48), Molecular Junctions and Nanostructures(36)

Publications364 total

Index
2016Open Access
Multiconfigurational Quantum Chemistry
2016· 128 cited
Multiconfigurational Quantum Mechanics (<scp>QM</scp>) for Heavy Element Compounds
Encyclopedia of Inorganic and Bioinorganic Chemistry·2011
Zur Komplexität der Mobilfunkforensik am Beispiel des iPhone
2011
How to select active space for multiconfigurational quantum chemistry?
International Journal of Quantum Chemistry·2011· 243 cited
Basis set representation of the electron density at an atomic nucleus
The Journal of Chemical Physics·2010· 31 cited
Infrared Spectra and Quantum Chemical Calculations of the Uranium Carbide Molecules UC and CUC with Triple Bonds
Journal of the American Chemical Society·2010· 57 cited
CrRb: A molecule with large magnetic and electric dipole moments
Physical Review A·2010· 13 citedOpen Access
On the Analysis of the Cr−Cr Multiple Bond in Several Classes of Dichromium Compounds
Inorganic Chemistry·2010· 103 cited
Electronic structure and chemical bonding in W2 molecule
Chemical Physics Letters·2010· 25 cited
Matrix infrared spectra and electronic structure calculations of the first actinide borylene: FBThF2
Chemical Communications·2010· 25 cited
Calculations and Matrix Infrared Spectra of Terminal Borylene Complexes FBMF<sub>2</sub>
Angewandte Chemie·2009· 14 cited
Calculations and Matrix Infrared Spectra of Terminal Borylene Complexes FBMF<sub>2</sub>
Angewandte Chemie International Edition·2009· 40 cited
Bonding Trends in Molecular Compounds of Lanthanides: The Double‐Bonded Carbene Cations LnCH<sub>2</sub><sup>+</sup> (Ln=Sc, Y, La–Lu)
Chemistry - A European Journal·2009· 43 cited
Covalent vs Electrostatic Interactions in Rare Earth Systems: A Comparative Study of U(III), U(IV), and U(V) and Nd(III) Bonding Properties by DFT and CAS-PT2 Approaches
The Journal of Physical Chemistry A·2009· 17 cited
Systematic truncation of the virtual space in multiconfigurational perturbation theory
The Journal of Chemical Physics·2009· 63 citedOpen Access
The ground-state potential curve of the beryllium dimer
International Journal of Quantum Chemistry·2009· 11 cited
Electron correlation and properties of many-electron systems
International Journal of Quantum Chemistry·2009· 17 cited
The complete active space SCF method in a fock-matrix-based super-CI formulation
International Journal of Quantum Chemistry·2009· 308 cited
Ab initio calculation of the electronic structure and geometry of Ni(CH3)2
International Journal of Quantum Chemistry·2009· 3 cited
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Frequent Co-authors

Per‐Åke Malmqvist(16), Per‐Olof Widmark(10), Kerstin Andersson(9), Roland Lindh(9), Valera Veryazov(9), Luis Serrano‐Andrés(9), Manuela Merchán(5), Laura Gagliardi(5), Ulf Ryde(4), Markus P. Fülscher(4), Kristine Pierloot(4), Francesco Aquilante(3), Thomas Bondo Pedersen(3), Gunnar Karlström(2), Bernd Schimmelpfennig(2), Pavel Neogrády(2), Giovanni Ghigo(2), Per E. M. Siegbahn(2), Anders Heiberg(2), Antonio Carlos Borin(2)