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- 2013
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Mark
MOLCAS-a software for multiconfigurational quantum chemistry calculations
(
- Contribution to journal › Article
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Mark
How are hydrogen bonds modified by metal binding?
(
- Contribution to journal › Article
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Mark
Capillary Condensation of Ionic Liquid Solutions in Porous Electrodes
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- Contribution to journal › Article
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Mark
Perspective: Coulomb fluids-Weak coupling, strong coupling, in between and beyond
(
- Contribution to journal › Article
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Mark
On the origin of the halo stabilization.
(
- Contribution to journal › Article
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Mark
Comparison of MM/GBSA calculations based on explicit and implicit solvent simulations.
(
- Contribution to journal › Article
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Mark
Direct ab initio study on the rate constants of radical C-2(A(3)Pi(u))+C3H8 reaction
(
- Contribution to journal › Article
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Mark
Large Density-Functional and Basis-Set Effects for the DMSO Reductase Catalyzed Oxo-Transfer Reaction
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- Contribution to journal › Article
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Mark
Accurate reaction energies in proteins obtained by combining QM/MM and large QM calculations
(
- Contribution to journal › Article
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Mark
Development of a ReaxFF Reactive Force Field for Titanium Dioxide/Water Systems
(
- Contribution to journal › Article