Theoretical Chemistry
1 – 10 of 786
- show: 10
- |
- sort: year (new to old)
Close
Embed this list
<iframe src=""
width=""
height=""
allowtransparency="true"
frameborder="0">
</iframe>
- 2018
- Planar screening by charge polydisperse counterions
- QM/MM study of the reaction mechanism of sulfite oxidase
- FeII Hexa N-Heterocyclic Carbene Complex with a 528 ps Metal-To-Ligand Charge-Transfer Excited-State Lifetime
- A classical density functional theory for the asymmetric restricted primitive model of ionic liquids
- Utilizing Coarse-Grained Modeling and Monte Carlo Simulations to Evaluate the Conformational Ensemble of Intrinsically Disordered Proteins and Regions
- Exploration of H2 binding to the [NiFe]-hydrogenase active site with multiconfigurational density functional theory
- Quantum Refinement Does Not Support Dinuclear Copper Sites in Crystal Structures of Particulate Methane Monooxygenase
- Reaction mechanism of metalloenzymes studied by theoretical methods
- Assessing the stability of free-energy perturbation calculations by performing variations in the method
- Solvent control of charge transfer excited state relaxation pathways in [Fe(2,2′-bipyridine)(CN)4]2-