Björn Roos (Former)
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- 2004
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Mark
Relativistic quantum chemistry: the multiconfigurational approach
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- Contribution to journal › Article
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Mark
Main group atoms and dimers studied with a new relativistic ANO basis set
2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(15). p.2851-2858(
- Contribution to journal › Article
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Mark
Relativistic atomic natural orbital type basis sets for the alkaline and alkaline-earth atoms applied to the ground-state potentials for the corresponding dimers
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- Contribution to journal › Article
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Mark
Correlation potentials for a multiconfigurational-based density functional theory with exact exchange
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- Contribution to journal › Article
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Mark
2MOLCAS as a development platform for quantum chemistry software
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- Contribution to journal › Article
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Mark
On the Effects of Spin-Orbit Coupling on Molecular Properties: Dipole Moment and Polarizability of PbO and Spectroscopic Constants for the Ground and Excited States
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- Chapter in Book/Report/Conference proceeding › Book chapter
- 2003
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Mark
A theoretical analysis of the excited states in 2-benzoylthiophene.
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- Contribution to journal › Article
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Mark
The Electronic Spectrum of Re2Cl82-: A Theoretical Study
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- Contribution to journal › Article
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Mark
II: Properties of Diatomic and Triatomic Molecules. A theoretical study of the X 6Σ+, A 6Σ+, and 6Δ states of CrH
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- Contribution to journal › Article
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Mark
The allyl radical revisited: A theoretical study of the electronic spectrum.
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- Contribution to journal › Article