Theoretical Chemistry
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- 2017
- Steering patchy particles using multivalent electrolytes
- Molecular Dynamic Simulations of Ionic Liquid's Structural Variations from Three to One Layers inside a Series of Slit and Cylindrical Nanopores
- H2 binding to the active site of [NiFe] hydrogenase studied by multiconfigurational and coupled-cluster methods
- Multiscale Modelling of Lytic Polysaccharide Monooxygenases
- Non-local rheology of dense granular flows
- Quasi-universality in mixed salt-free counterion systems
- Relativistic Polarizable Embedding
- Structural Characterization of Histatin 5-Spermidine Conjugates : A Combined Experimental and Theoretical Study
- Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2'-bipyridine)2(CN)2]
- Temperature Response of Charged Colloidal Particles by Mixing Counterions Utilizing Ca2+/Na+ Montmorillonite as Model System