Theoretical evidence for the Peierls transition in NbO2
Sign Up to like & getrecommendations! Published in 2021 at "Physical Review B"
DOI: 10.1103/physrevb.104.035128
Abstract: We show by advanced electronic structure calculations that ${\mathrm{NbO}}_{2}$ essentially is a Peierls-type material. After simulating the rutile as well as the body-centered tetragonal phase with the Bethe-Salpeter equation, we are able to reproduce the… read more here.
Keywords: mathrm ensuremath; evidence peierls; ensuremath gamma; theoretical evidence ... See more keywords
Development of epitopephore-based rational hapten design strategy: A combination of theoretical evidence and experimental validation.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of hazardous materials"
DOI: 10.2139/ssrn.4253564
Abstract: Antibody is the key biomolecule that governing the sensitivity and specificity of an immunoassay for chemical compound, also named hapten molecule. Obviously, predication of hapten effectiveness before chemical synthesis is beneficial to boost success, save… read more here.
Keywords: theoretical evidence; dnc; hapten design; rational hapten ... See more keywords