Computational Design of Novel Hydrogen-Rich YS–H Compounds
نویسندگان
چکیده
منابع مشابه
Design and Synthesis of Novel Antileishmanial Compounds
According to the WHO, infectious diseases, and in particular neglected tropical diseases in poor developing countries, still play a significant role in a vast number of deaths reported worldwide. Among them, leishmaniasis occurs as a complex and clinically diverse illness caused by protozoan Leishmania species which are transmitted through the bite of sandflies. They develop through a complex l...
متن کاملComputational design of axion insulators based on 5d spinel compounds.
Based on density functional calculation using the local density approximation+U method, we predict that osmium compounds such as CaOs(2)O(4) and SrOs(2)O(4) can be stabilized in the geometrically frustrated spinel crystal structure. They show ferromagnetic order in a reasonable range of the on-site Coulomb correlation U and exotic electronic properties, in particular, a large magnetoelectric co...
متن کاملwoman-defined identity: analysis of selected poems of adrienne rich
the current thesis is composed in five chapters in the following fashion: chapter two encompasses the applied framework of the project in details; the methodology of carl gustav jung to explain the process of individuation, the major archetypes and their attributes and his techniques to assess the mind’s strata are all explained. moreover, the austrian psychoanalysts, heinz kohut’s models of a...
A Novel Study of Upgrading Catalytic Reforming Unit by Improving Catalyst Regeneration Process to Enhance Aromatic Compounds, Hydrogen Production, and Hydrogen Purity
Catalytic reforming is a chemical process utilized in petroleum refineries to convert naphtha, typically having low octane ratings, into high octane liquid products, called reformates, which are components of high octane gasoline. In this study, a mathematical model was developed for simulation of semi-regenerative catalytic reforming unit and the result of the proposed model was compared with ...
متن کاملComputational Design, Molecular Docking Study and Toxicity Prediction of Some Novel Pralidoxime Derivatives as reactivators of acetyl cholinesterase enzyme
Abstract Background & Objective: oximes as Acetylcholinesterase (AChE) reactivators were developed for the treatment of organophosphate compounds (OPCs) intoxication. Oximes also bind to the active site of AChE, simultaneously acting as reversible inhibitors. Organophosphorus compounds (OPCs) such as soman, sarin, or VX react with acetyl cholinesterase irreversibly. In this research, a group o...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: ACS Omega
سال: 2019
ISSN: 2470-1343,2470-1343
DOI: 10.1021/acsomega.9b02094