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- 2011
-
Mark
Does DFT-D estimate accurate energies for the binding of ligands to metal complexes?
(
- Contribution to journal › Article
-
Mark
Comparison of the Efficiency of the LIE and MM/GBSA Methods to Calculate Ligand-Binding Energies
(
- Contribution to journal › Article
-
Mark
On the Convergence of QM/MM Energies
(
- Contribution to journal › Article
-
Mark
Equation of State of Colloidal Dispersions.
(
- Contribution to journal › Article
-
Mark
Conformational Dependence of Isotropic Polarizabilities
(
- Contribution to journal › Article
-
Mark
Anisotropic electric fluctuations in polar liquids under spherical confinement
(
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
-
Mark
Simulations of Simple Fluids and Surface Forces
2011)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Structure and Phase Behavior of Protein Solutions
2011)(
- Thesis › Doctoral thesis (compilation)
- 2010
-
Mark
How to obtain statistically converged MM/GBSA results.
(
- Contribution to journal › Article
-
Mark
Calculations and Matrix Infrared Spectra of Terminal Borylene Complexes FB=MF2
(
- Contribution to journal › Article