Results 11 to 20 of about 256 (70)
Numerical Integration of Slater Basis Functions Over Prolate Spheroidal Grids. [PDF]
J Comput ChemAtom‐centered Slater functions are integrated over a prolate spheroidal grid, allowing the use of larger basis sets in correlated electronic structure computations. ABSTRACT Slater basis functions have desirable properties that can improve electronic structure simulations, but improved numerical integration methods are needed. This work builds upon the
Stark A +5 more
europepmc +2 more sources
Angewandte Chemie, EarlyView.By harnessing chalcogen bonding (ChB) catalysis, an exclusive access into a highly stereoselective strain‐release C‐glycosylation pathway was discovered. This was surprisingly not replicable by the conceptually similar halogen bonding (XB) catalysis.
Hao Guo, Charles C. J. Loh
wiley +2 more sources
Crystallization of Water Mediated by Carbon
Geophysical Monograph Series, Page 77-86., 2020 This book is Open Access. A digital copy can be downloaded for free from Wiley Online Library.
Explores the behavior of carbon in minerals, melts, and fluids under extreme conditions
Carbon trapped in diamonds and carbonate-bearing rocks in subduction zones are examples of the continuing exchange of substantial carbon ...
Tianshu Li, Yuanfei Bi, Boxiao Cao
wiley +1 more source
Advanced Photonics Research, EarlyView.Recent advances in nanophotonics‐based chiral biosensing approaches are comprehensively reviewed, highlighting key trends, advantages, and limitations of each technology. Special attention is given to emerging strategies that exploit magneto‐optical and quantum plasmonic phenomena to enhance sensitivity down to the level of a few molecules, or even a ...
Jorge Ricardo Mejía‐Salazar
wiley +1 more source
Reversible Strong Metal‐Support Interactions in Co/TiO2 Catalysts Driven by CO2
ChemCatChem, EarlyView.The evolutions of titania overlayer and cobalt supported species of a Co/TiO2 catalyst were characterized in CO2 reduction conditions. External operating conditions impact the manifestation or elimination of SMSI and can influence the stability and reactivity of Co particles supported on titania.
Aurélien Durupt +9 more
wiley +1 more source
ChemistryEurope, EarlyView.Reacting 1‐hydridosilatrane with triphenylcarbenium hexachloridoantimonate in acetonitrile solution and in the presence of 4‐dimethylaminopyridine combines the world of silatranes with the world of carbenes, giving an unprecedented carbene‐type antimony pentachloride complex. This finding offers a new playground for exciting new chemistry.
David Mroß +7 more
wiley +1 more source
ChemistryEurope, EarlyView.The study examines the coordination chemistry of indium teflate complexes, showing the progression from [In(OTeF5)3(THF)3] to the anionic species [In(OTeF5)4(THF)2]– and [In(OTeF5)6]3–. Systematic ligand substitution and anion formation reveal increasing teflate coordination, highlighting structural evolution, Lewis acidity modulation, and ...
Djamila Azrou +7 more
wiley +1 more source
ChemPhotoChem, EarlyView.A library consisting of five terephthalonitrile‐based phenoxazines was prepared. Different donor/acceptor functionalization dominates the preferred environment for emission, either in solution, the solid state, or both. Absorption and emission wavelengths correlate with the Hammett parameter σp of the substituents.
Alexander Huber +7 more
wiley +1 more source
Constipation Is Linked to Neuroinflammation in Early Parkinson's Disease
Movement Disorders, EarlyView.Abstract Background Constipation is a risk factor for the onset and accelerated progression of Parkinson's disease (PD), but the mechanisms underlying this association are unknown. Neuroinflammation in PD has been demonstrated in postmortem and neuroimaging studies; however, its relationship with constipation has not been investigated.
Marta Camacho +8 more
wiley +1 more source
International Journal of Mechanical System Dynamics, EarlyView.ABSTRACT Understanding the dynamic behavior of structural components is crucial for optimizing performance and ensuring structural integrity. This study presents a new method that combines a systematic experimental investigation of four distinct hole geometries (circular, square, compact rectangular, and long rectangular) with varying hole counts, all ...
Amir Hossein Rabiee +3 more
wiley +1 more source