Sort by
Refine Your Search
-
liquid environment. 1) Molecular Modeling - Study of interactions between MnO₂ and ionic liquids using Density Functional Theory (DFT) and Reactive Molecular Dynamics (ReaxFF). - Analysis of oxidation
-
energies will be measured through threshold collision-induced dissociation (T-CID) experiments, with tandem MS/MS experiments used to ensure accuracy. Computational methods like Density Functional Theory
-
energies will be measured through threshold collision-induced dissociation (T-CID) experiments, with tandem MS/MS experiments used to ensure accuracy. Computational methods like Density Functional Theory
-
chemistry software (e.g., Gaussian, Dalton, TurboMole) is highly desirable. Background in Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) are desirable assets. Strong
-
Research Framework Programme? Not funded by a EU programme Is the Job related to staff position within a Research Infrastructure? No Offer Description This work will take place at the LAAS-CNRS laboratory