2 papers
physics.chem-ph2019
Quantum Mechanics of Proteins in Explicit Water: The Role of Plasmon-Like Solute-Solvent Interactions
Martin Stöhr, Alexandre Tkatchenko
Quantum-mechanical van der Waals dispersion interactions play an essential role for both intra-protein and protein-water interactions -- the two main driving forces for the structu…
physics.chem-ph2018
Quantum-Mechanical Relation between Atomic Dipole Polarizability and the van der Waals Radius
Dmitry V. Fedorov, Mainak Sadhukhan, Martin Stöhr +1
The atomic dipole polarizability, , and the van der Waals (vdW) radius, , are two key quantities to describe vdW interactions between atoms in molecules and materia…