Computational Chemistry
811 – 820 of 1090
- show: 10
- |
- sort: year (new to old)
Close
Embed this list
<iframe src=" "
width=" "
height=" "
allowtransparency="true"
frameborder="0">
</iframe>
- 2007
-
Mark
Calculation of EPR g tensors for transition-metal complexes based on multiconfigurational perturbation theory (CASPT2)
(
- Contribution to journal › Article
-
Mark
Repulsion between oppositely charged macromolecules or particles
(
- Contribution to journal › Article
-
Mark
Prediction and rationalization of the pH dependence of the activity and stability of family 11 xylanases
(
- Contribution to journal › Article
-
Mark
Accurate metal-site structures in proteins obtained by combining experimental data and quantum chemistry
(
- Contribution to journal › Scientific review
-
Mark
Experimental and theoretical evidence of overcharging of calcium silicate hydrate
(
- Contribution to journal › Article
-
Mark
Interactions between charged surfaces immersed in a polyelectrolyte solution
(
- Contribution to journal › Article
-
Mark
The role of axial ligands for the structure and function of chlorophylls
(
- Contribution to journal › Article
-
Mark
Simulations and density functional calculations of surface forces in the presence of semiflexible polymers
(
- Contribution to journal › Article
-
Mark
Many-body polarization, a cause of asymmetric solvation of ions and quadrupoles
(
- Contribution to journal › Article
-
Mark
A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases
(
- Contribution to journal › Article