92 citations · 196 across the 9 of their papers we have counts for
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cond-mat.mtrl-sci2019
Impact of pressure and temperature on the broadband dielectric response of the HKUST-1 metal-organic framework
Arun S. Babal, Lorenzo Donà, Matthew R. Ryder +8
Herein we employed high-resolution spectroscopic techniques in combination with periodic ab initio density functional theory (DFT) calculations to establish the different polarizat…
physics.chem-ph2019
Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard-Jones Parameters for Water and to Study Solvation of TiO2 Nanoparticles
Asmus Ougaard Doh, Daniele Selli, Gianluca Fazio +4
Metal oxide nanoparticles (NPs) are regarded as good candidates for many technological applications, where their functional environment is often an aqueous solution. The correct de…