Results 81 to 90 of about 14,851 (247)
Chemical Bonds Containing Hydrogen: Choices for Hydrogen Carriers and Catalysts
Angewandte Chemie, EarlyView.Hydrogen carriers utilizing B─H, C─H, N─H, and O─H bonds are evaluated for their potential in hydrogen storage and release. Key candidates such as methanol, ammonia, and formic acid are examined with a focus on critical factors influencing performance, including the nature of chemical bonds, reaction pathways, and catalytic processes.
James Cashel +9 more
wiley +2 more sources
Non-Existence of Multiplanar Cyclohexane Rings [PDF]
, 1936 R. D. Desai, R. F. Hunter
openalex +1 more source
Advanced Energy and Sustainability Research, EarlyView.Heterogeneous photocatalysis with metal‐loaded TiO2 photocatalysts under mild conditions can be utilized for various dehydrogenative cross‐coupling reactions, including the functionalization of aromatic rings via radical addition‐elimination or radical–radical coupling mechanisms, and the radical anti‐Markovnikov addition of alkenes. In some cases, the
Hisao Yoshida
wiley +1 more source
Angewandte Chemie, EarlyView.An automated experimental workflow to accelerate the discovery of metal‐organic cages (MOCs), which is often hindered by slow, manual approaches, has been developed. Automation of the synthesis, characterization, and analysis, is supported by computational modelling to rationalize the experimental outcomes, and development of a host–guest assay ...
Annabel R. Basford +8 more
wiley +2 more sources
Electrocatalytic valorization of lignocellulose-derived aromatics at industrial-scale current densities. [PDF]
Nat Commun, 2023 Peng T +5 more
europepmc +1 more source
Automatic Parameterization of Force Fields for Liquids by Simplex Optimization [PDF]
J Comp Chem 20(10), 1009-1017 (1999), 1999 We demonstrate an automatic method of force field development for molecular simulations. Parameter tuning is taken as an optimization problem in many dimensions. The parameters are automatically adapted to reproduce known experimental data such as the density and the heat of vaporization.
arxiv
AIChE Journal, EarlyView.Abstract Covalent organic framework (COF) membranes are promising for eco‐friendly separations, but precise control of pore size at the angstrom level has been challenging, limiting their application in gas separation. This study introduces a pore redistribution method to reduce pore size to the sub‐nanometer range in single‐phase COF membranes.
Li Chen +5 more
wiley +1 more source
Angewandte Chemie, EarlyView.A dimagnesium/dipotassium complex of N2 acts as a “masked” source of a dimagnesium(I) diradical in formal reductive coupling and cross‐coupling reactions involving various combinations of the simple gaseous small molecules, C2H4, CO, CO2, and H2. A range of more complex “value‐added” organic fragments have been accessed from these processes.
Dat T. Nguyen +4 more
wiley +2 more sources
Multiplanar Cyclohexane Rings [PDF]
, 1938 R. D. Desai, R. F. Hunter, G. S. SAHARIA
openalex +1 more source
Thiophene Containing Polycyclic Aromatic Hydrocarbon Monkey Saddles
Asian Journal of Organic Chemistry, Accepted Article.Negatively curved chiral polycyclic aromatic hydrocarbons (PAHs) gained a lot of interest in research over the past years. By replacing phenyl against thiophene units in a monkey saddle shaped PAH, it was possible to further tune the photophysical and electrochemical properties as well as influence the racemization barrier of these three‐dimensional ...
Tobias Kirschbaum +6 more
wiley +1 more source