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- 2004
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Mark
Surface forces in polymer fluids: A comparison between simulations and density functional theory
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- Contribution to journal › Article
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Mark
On the role of the axial ligand in heme proteins: a theoretical study
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- Contribution to journal › Article
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Mark
Analytical energy gradients for local second-order Moller-Plesset perturbation theory using density fitting approximations
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- Contribution to journal › Article
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Mark
Ion-ion correlations in liquid dispersions
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- Contribution to journal › Article
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Mark
2MOLCAS as a development platform for quantum chemistry software
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- 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
How O-2 binds to heme - Reasons for rapid binding and spin inversion
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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
Oppositely charged polyelectrolytes. Complex formation and effects of chain asymmetry
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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)
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- Contribution to journal › Article