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- 2007
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Mark
Infrared spectrum and bonding in uranium methylidene dihydride, CH2=UH2
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- Contribution to journal › Article
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Mark
Ab initio characterization of C-5
(
- Contribution to journal › Article
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Mark
Calculation of EPR g tensors for transition-metal complexes based on multiconfigurational perturbation theory (CASPT2)
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- Contribution to journal › Article
- 2006
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Mark
Exploring the actinide-actinide bond: Theoretical studies of the chemical bond in Ac-2, Th-2, Pa-2, and U-2
(
- Contribution to journal › Article
- 2005
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Mark
New relativistic ANO basis sets for actinide atoms
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- Contribution to journal › Article
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Mark
New relativistic ANO basis sets for transition metal atoms
2005) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 109(29). p.6575-6579(
- Contribution to journal › Article
- 2004
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Mark
Using on-top pair density for construction of correlation functionals for multideterminant wave functions
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- Contribution to journal › Article
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Mark
Spin-orbit ab initio study of alkyl halide dissociation via electronic curve crossing
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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
-
Mark
A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)
(
- Contribution to journal › Article