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Investigation of Computational Determination of Elastic Properties for Silicon Nitride and Silicon Carbonitride Materials
(2020-08-10)
Silicon nitride and silicon carbonitride materials are versatile materials exhibiting useful properties at high temperatures and pressures. This study investigates the use of molecular dynamics simulations to determine ...
Nitroalkane Oxidase Inspired NO-Transfer Agents, NO Sensors, and the Computational Design of Fluorescent Sensors
(2023-03-13)
**Please note that the full text is embargoed until 2/25/2025** ABSTRACT: Flavin adenine dinucleotide and flavin mononucleotide are co-enzymes with biologically relevant redox potentials. They are involved in many chemical ...
Controlled Hydrosilylations of Carbonyl Compounds and Computational Investigations of a Hydride Shuttle Mechanism for Alkene Hydrosilylation
(2015-11-30)
Chapter 1 describes tandem dual hydrosilylations of α,β-unsaturated enals. Hydrosilylations of both carbonyl compounds and alkenes have been utilized to create chiral alcohols. Tandem dual hydrosilylations (TDH) of ...