Results 41 to 50 of about 107,082 (295)

Influence of Dielectric Environment upon Isotope Effects onGlycoside Heterolysis: Computational Evaluation and AtomicHessian Analysis [PDF]

, 2019
Isotope effects depend upon the polarity of the bulk medium in which a chemical process occurs. Implicit solvent calculations with molecule-shaped cavities show that the equilibrium isotope effect (EIE) for heterolysis of the glycosidic bonds in 5 ...
Porter, Alexander J., Upfold, Catherine M., Williams, Ian H., Świderek, Katarzyna   +3 more
core   +1 more source

Examining the effects of additives and precursors on the reactivity of rhodium alkyl nitrenes generated from substituted hydroxylamines

Frontiers in Chemistry, 2023
In this study, the reactivity of the alkyl nitrenes, generated from the substituted hydroxylamine precursors, was determined using the same rhodium catalyst. The results revealed that in competitive C–H insertion experiments, the regioselectivity between
Hidetoshi Noda, Yasuko Asada, Masakatsu Shibasaki   +2 more
doaj   +1 more source

Photoactivation of NV Centers in Diamond via Continuous Wave Laser Illumination of Shallow As‐Implanted Nitrogen

Advanced Functional Materials, EarlyView.
This study demonstrates an alternative method of creating charge‐stable negatively charged nitrogen vacancy (NV−) centers close to the diamond surface without high‐temperature annealing. By illuminating nitrogen‐implanted regions with a continuous‐wave 405 nm laser, NV− centers are induced, exhibiting electron spin coherence properties suitable for ...
Jens Fuhrmann, Christoph Findler, Michael Olney‐Fraser, Lev Kazak, Fedor Jelezko   +4 more
wiley   +1 more source

kinetic isotope effect

, 2014
Citation: 'kinetic isotope effect' in the IUPAC Compendium of Chemical Terminology, 3rd ed.; International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.K03405 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
openaire   +2 more sources

Chemical stability of levoglucosan: An isotopic perspective

Geophysical Research Letters, 2016
The chemical stability of levoglucosan was studied by exploring its isotopic fractionation during the oxidation by hydroxyl radicals. Aqueous solutions as well as mixed (NH4)2SO4‐levoglucosan particles were exposed to OH.
X. F. Sang, I. Gensch, B. Kammer, A. Khan, E. Kleist, W. Laumer, P. Schlag, S. H. Schmitt, J. Wildt, R. Zhao, E. L. Mungall, J. P. D. Abbatt, A. Kiendler‐Scharr   +12 more
doaj   +1 more source

Chlorine Isotope Effects from Isotope Ratio Mass Spectrometry Suggest Intramolecular C-Cl Bond Competition in Trichloroethene (TCE) Reductive Dehalogenation

Molecules, 2014
Chlorinated ethenes are prevalent groundwater contaminants. To better constrain (bio)chemical reaction mechanisms of reductive dechlorination, the position-specificity of reductive trichloroethene (TCE) dehalogenation was investigated.
Stefan Cretnik, Anat Bernstein, Orfan Shouakar-Stash, Frank Löffler, Martin Elsner   +4 more
doaj   +1 more source

Unraveling the Catalytic Mechanism of Nitrile Hydratases [PDF]

, 2007
To elucidate a detailed catalytic mechanism for nitrile hydratases (NHases), the pH and temperature dependence of the kinetic constants kcat and Km for the cobalt-type NHase from Pseudonocardia thermophila JCM 3095 (PtNHase) were examined.
Holz, Richard C., Mitra, Sanghamitra
core   +1 more source

Atomic Size Misfit for Electrocatalytic Small Molecule Activation

Advanced Functional Materials, EarlyView.
This review explores the application and mechanisms of atomic size misfit in catalysis for small molecule activation, focusing on how structural defects and electronic properties can effectively lower the energy barriers of chemical bonds in molecules like H2O, CO2, and N2.
Ping Hong, Changfan Xu, Huaping Zhao, Yong Lei   +3 more
wiley   +1 more source

Aqueous Phase C-H Bond Oxidation Reaction of Arylalkanes Catalyzed by a Water-Soluble Cationic Ru(III) Complex [(pymox-Me\u3csub\u3e2\u3c/sub\u3e)\u3csub\u3e2\u3c/sub\u3eRuCl\u3csub\u3e2\u3c/sub\u3e]\u3csup\u3e+\u3c/sup\u3eBF\u3csub\u3e4\u3c/sub\u3e\u3csup\u3e-\u3c/sup\u3e [PDF]

, 2009
The cationic complex [(pymox-Me2)RuCl2]+BF4− was found to be a highly effective catalyst for the C−H bond oxidation reaction of arylalkanes in water. For example, the treatment of ethylbenzene (1.0 mmol) with t-BuOOH (3.0 mmol) and 1.0 mol % of the Ru ...
Kwon, Ki Hyeok, Lee, Do W., Yi, Chae S.
core   +1 more source

The thermodynamic and kinetic properties of hydrogen dimers on graphene

, 2010
The thermodynamic and kinetic properties of hydrogen adatoms on graphene are important to the materials and devices based on hydrogenated graphene. Hydrogen dimers on graphene with coverages varying from 0.040 to 0.111 ML (1.0 ML $= 3.8\times10^{15}$cm$^{
Andree, Balog, Baroni, Becke, Blöchl, Bostwick, Casolo, Casolo, Coey, Dumont, Elias, Eyring, Ferro, Gavardi, Giannozzi, Guisinger, Henkelman, Hornekær, Hornekær, Huang, Hänggi, Kohn, Lachawiec, Lebégue, Lee, Liang Feng Huang, Lieb, Ling Ju Guo, Luo, Mei Yan Ni, Methfessel, Morris, Pollak, Roman, Ryu, Shytov, Sofo, Toyoura, Vanderbilt, Vineyard, Wang Huai Zhou, Xiao Hong Zheng, Yong Gang Li, Zecho, Zecho, Zhi Zeng, Šljivančanin   +46 more
core   +1 more source