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- 2004
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Mark
Relativistic quantum chemistry: the multiconfigurational approach
(
- Contribution to journal › Article
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Mark
Oppositely charged polyelectrolytes. Complex formation and effects of chain asymmetry
(
- Contribution to journal › Article
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Mark
The n ->pi* electronic transition in microsolvated formaldehyde. A coupled cluster and combined coupled cluster/molecular mechanics study
2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(41). p.8624-8632(
- Contribution to journal › Article
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Mark
Study of the hydronium ion in water. A combined quantum chemical and statistical mechanical treatment
(
- Contribution to journal › Article
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Mark
Polarizabilities of small annulenes from Cholesky CC2 linear response theory
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- Contribution to journal › Article
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Mark
A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)
(
- Contribution to journal › Article
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Mark
A theoretical study of the bonding in trivalent americium complexes
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- 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
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