Computational catalyst screening: Scaling, bond-order and catalysis
نویسندگان
چکیده
منابع مشابه
Computational study of boron nitride nanotube synthesis: How catalyst morphology stabilizes the boron nitride bond
S. Riikonen,1 A. S. Foster,1,2 A. V. Krasheninnikov,1,3 and R. M. Nieminen1,* 1COMP/Department of Applied Physics, Helsinki University of Technology, P.O. Box 1100, Helsinki FI-02015, Finland 2Department of Physics, Tampere University of Technology, P.O. Box 692, FI-33101 TUT Tampere, Finland 3Materials Physics Division, University of Helsinki, P.O. Box 43, Helsinki FI-00014, Finland Received 1...
متن کاملGlycoside bond formation via acid-base catalysis.
Acid-base catalyzed glycosyl donor and then glycosyl acceptor activation with phenylboron difluoride or diphenylboron fluoride permits hydrogen bond mediated intramolecular S(N)2-type glycosidation in generally high anomeric selectivity.
متن کاملAntibody catalysis of peptide bond formation.
An antibody generated against a neutral phosphonate diester transition-state (TS not equal to) analog catalyzes the formation of an amide bond between a phenylalanyl amino group and an acyl azide derived from L-alanine. The antibody is selective for L- vs. D-alanine and does not catalyze the hydrolysis of the acyl azide to an appreciable degree. A rate acceleration of 10,000-fold relative to th...
متن کاملSurface modified niobium oxide catalyst: synthesis, characterization, and catalysis
The molecular structures and reactivity of surface modified niobium oxide catalysts were determined by Raman spectroscopy, pyridine adsorption as well as the methanol oxidation reaction. Metal oxides (RexO,, CrOx, WOs, Moos, and V206) and acids (phosphate and sulfate) form a surface overlayer on the niobia support, and possess a structure similar to the metal oxide ionic species present in acid...
متن کاملNew Tools for Green Catalysis Studies on a Biomimetic Hybrid Catalyst and a Novel Nanopalladium Catalyst
................................................................................................................ ii List of publications ............................................................................................. vii Table of contents ................................................................................................... xi Abbreviations ..............................
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: Catalysis Today
سال: 2016
ISSN: 0920-5861
DOI: 10.1016/j.cattod.2015.08.056