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- 2004
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Mark
Analytical energy gradients for local second-order Moller-Plesset perturbation theory using density fitting approximations
(
- Contribution to journal › Article
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Mark
The protonation status of compound II in myoglobin, studied by a combination of experimental data and quantum chemical calculations: Quantum refinement
(
- Contribution to journal › Article
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Mark
Onset of cohesion in cement paste
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- 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
Local properties of quantum chemical systems: The LoProp approach
(
- 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
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
A simple correlation-corrected Poisson-Boltzmann theory
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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-
(
- Contribution to journal › Article