Björn Roos (Former)
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- 2004
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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
(
- Contribution to journal › Article
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Mark
Correlation potentials for a multiconfigurational-based density functional theory with exact exchange
(
- Contribution to journal › Article
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Mark
A theoretical study of the excited states of CrH: Potential energies, transition moments, and lifetimes
(
- Contribution to journal › Article
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Mark
Collisional properties of trapped cold chromium atoms
(
- Contribution to journal › Article
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Mark
2MOLCAS as a development platform for quantum chemistry software
(
- 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
(
- Chapter in Book/Report/Conference proceeding › Book chapter
- 2003
-
Mark
An accurate quartic force field and fundamental frequencies for the ozonide anion.
(
- Contribution to journal › Article
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Mark
The ground state and electronic spectrum of CUO - a mystery.
(
- Contribution to journal › Article
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Mark
A theoretical investigation of valence and Rydberg electronic states of acrolein
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- Contribution to journal › Article
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Mark
On the reaction of a uranium atom with a nitrogen molecule: a theoretical attempt
(
- Contribution to journal › Article
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Mark
The allyl radical revisited: A theoretical study of the electronic spectrum.
(
- Contribution to journal › Article
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Mark
Molecular orbital theory.
2003) In Comprehensive Coordination Chemistry 2 (Vol. 1)(
- Chapter in Book/Report/Conference proceeding › Book chapter
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Mark
Molcas: a program package for computational chemistry.
2003) Symposium on Software Development for Process and Materials Disign In Computational Materials Science 28(2). p.222-239(
- Contribution to journal › Article
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Mark
A theoretical analysis of the excited states in 2-benzoylthiophene.
(
- Contribution to journal › Article
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Mark
The Electronic Spectrum of Re2Cl82-: A Theoretical Study
(
- 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
(
- Contribution to journal › Article
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Mark
The ground state potential for the chromium dimer revisited.
(
- Contribution to journal › Article
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Mark
Molcas programmer’s guide
2003)(
- Book/Report › Report
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Mark
Heavy element quantum chemistry - the multiconfigurational approach.
2003)(
- Chapter in Book/Report/Conference proceeding › Book chapter
- 2002
-
Mark
Coordination of the neptunyl ion with carbonate ions and water: a theoretical study.
(
- Contribution to journal › Article