Results 251 to 260 of about 3,274,216 (342)

Magnetic Inducement Utilization for Dopant Modification in Alumina Support for Ethanol Steam Reforming. [PDF]

open access: yesACS Omega
Katanyutanon S   +5 more
europepmc   +1 more source

Redox-Acidity Interplay in Eu-Promoted PtSn<sub>2</sub> Catalysts for Selective and Stable Propane Dehydrogenation. [PDF]

open access: yesAngew Chem Int Ed Engl
Valls MI   +10 more
europepmc   +1 more source

Automated workflow for computation of redox potentials, acidity constants, and solvation free energies accelerated by machine learning.

Journal of Chemical Physics, 2022
Fast evolution of modern society stimulates intense development of new materials with novel functionalities in energy and environmental applications. Due to rapid progress of computer science, computational design of materials with target properties has ...
Feng Wang, Jun Cheng
semanticscholar   +1 more source

Estimation of thermodynamic acidity constants of some penicillinase-resistant penicillins

Journal of Pharmaceutical and Biomedical Analysis, 2014
Ebru Çubuk Demiralay, Zehra Üstün
exaly   +2 more sources

Computational Prediction of All Lanthanide Aqua Ion Acidity Constants.

Inorganic Chemistry, 2021
The protonation state of lanthanide-ligand complexes, or lanthanide-containing porous materials, with many Brønsted acid sites can change due to proton loss/gain reactions with water or other heteroatom-containing compounds.
Richard C. Shiery   +2 more
semanticscholar   +1 more source

Interfacial structures and acidity constants of goethite from first-principles Molecular Dynamics simulations

American Mineralogist, 2021
In this paper, we report a first-principles Molecular Dynamics (FPMD) study of interfacial structures and acidity constants of goethite. The pKa values of the groups on (010), (110), and (021) surfaces (space group Pbnm) are derived with the FPMD based ...
Yingchun Zhang   +3 more
semanticscholar   +1 more source

Determination of acidity constants, ionic mobilities, and hydrodynamic radii of carborane‐based inhibitors of carbonic anhydrases by capillary electrophoresis

Electrophoresis, 2021
Capillary electrophoresis (CE) has been applied for determination of the thermodynamic acidity constants (pKa) of the sulfamidoalkyl and sulfonamidoalkyl groups, the actual and limiting ionic mobilities and hydrodynamic radii of important compounds ...
Veronika Šolínová   +5 more
semanticscholar   +1 more source

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