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- 2004
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Mark
Oppositely charged polyelectrolytes. Complex formation and effects of chain asymmetry
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- Contribution to journal › Article
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Mark
Relativistic quantum chemistry: the multiconfigurational approach
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- 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
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
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- Contribution to journal › Article
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Mark
A simple correlation-corrected Poisson-Boltzmann theory
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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
Binding of benzylpenicillin to metallo-beta-lactamase: A QM/MM study
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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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- Contribution to journal › Scientific review
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Mark
A combined quantum chemical statistical mechanical simulation of the hydration of Li+, Na+, F-, and Cl-
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- Contribution to journal › Article