Faster, Catalyst! React! React! Exploiting Computational Chemistry for Catalyst Development and Design
نویسندگان
چکیده
منابع مشابه
Catalyst design in oxidation chemistry; from KMnO4 to artificial metalloenzymes.
Oxidation reactions are an important part of the synthetic organic chemist's toolkit and continued advancements have, in many cases, resulted in high yields and selectivities. This review aims to give an overview of the current state-of-the-art in oxygenation reactions using both chemical and enzymatic processes, the design principles applied to date and a possible future in the direction of hy...
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*Work supported by the U.S. Department of Energy under contract No. DE-AC02-98CH10886. [email protected] Abstract High field common coil magnets [1,2] using brittle High Temperature Superconductors (HTS) or Nb3Sn cables provide new challenges with respect to the design and manufacturing of coils. We are developing the scaleable techniques that can be used in the production of common coil or oth...
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KARE is a not-for-profit parents’ organisation in County Kildare, Ireland, which provides services to individuals with intellectual disabilities and their families. We currently provide services for approximately 400 individuals divided equally between children and adults. The organisation has been in existence for 30 years and from the outset, the ethos has always been to support families and ...
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Palladium catalysts have been widely adopted for organic synthesis and diverse industrial applications given their efficacy and safety, yet their biological in vivo use has been limited to date. Here we show that nanoencapsulated palladium is an effective means to target and treat disease through in vivo catalysis. Palladium nanoparticles (Pd-NPs) were created by screening different Pd compound...
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ژورنال
عنوان ژورنال: Accounts of Chemical Research
سال: 2016
ISSN: 0001-4842,1520-4898
DOI: 10.1021/acs.accounts.6b00249