Modeling of Complex Interfaces: From Surface Chemistry to Nano Chemistry

Abstract

For a few years now, quantum chemical modeling of materials has experienced a tremendous boost due to the increasing computational power [...]

Cystinuria and cystinosis are usually related to L-cystine: is this really the case for cystinosis? A physicochemical investigation at micrometre and nanometre scale

“…A Density Functional Theory-Dispersion corrected (DFT-D) IR spectrum was calculated. The computational procedures are similar to those described in our earlier studies [59][60][61][62][63].…”

Special Issue “Theoretical Calculation and Molecular Modeling of Nanomaterials”

“…This Special Issue aims to cover a broad spectrum of these applications. We hope that the contributions to this second Special Issue on the topic [1] provide readers with valuable insights into recent advances in this field, while also offering guidance for the future development of materials. I extend my gratitude to all the authors who have made this Special Issue possible.…”