Filipp Furche

Latest

• TURBOMOLE: Today and Tomorrow
• Static polarizabilities within the generalized Kohn–Sham semicanonical projected random phase approximation (GKS-spRPA)
• Exploring the Solvation of Acetic Acid in Water Using Liquid Jet X-ray Photoelectron Spectroscopy and Core Level Electron Binding Energy Calculations
• TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
• Effective one-particle energies from generalized Kohn–Sham random phase approximation: A direct approach for computing and analyzing core ionization energies
• Variational generalized Kohn-Sham approach combining the random-phase-approximation and Green's-function methods
• Assessment of Density Functional Theory in Predicting Interaction Energies Between Water and Polycyclic Aromatic Hydrocarbons: From Water on Benzene to Water on Graphene
• Metal versus Ligand Reduction in Ln3+ Complexes of a Mesitylene-Anchored Tris(Aryloxide) Ligand
• Using Diamagnetic Yttrium and Lanthanum Complexes to Explore Ligand Reduction and C--H Bond Activation in a Tris(aryloxide)mesitylene Ligand System
• Comparisons of lanthanide/actinide +2 ions in a tris(aryloxide)arene coordination environment
• Random-Phase Approximation Methods