Results 131 to 140 of about 3,178 (211)
International Journal of Chemical Kinetics, EarlyView.ABSTRACT In the interstellar medium, chemical reactions proceed under conditions vastly different to those on Earth; these include extremely low temperatures and densities and take place in the gas phase and on water–ice grains. Understanding the energetics and more importantly the kinetics of such reactions is of relevance to the consequences on how ...
Judith Wurmel, John M. Simmie
wiley +1 more source
Robust Supramolecular Dimers Derived from Benzylic-Substituted 1,2,4-Selenodiazolium Salts Featuring Selenium⋯π Chalcogen Bonding. [PDF]
Int J Mol Sci, 2022 Sapronov AA +9 more
europepmc +1 more source
International Journal of Chemical Kinetics, EarlyView.ABSTRACT We present chemical kinetic rate constants for the cis to trans isomerisation or rotamerization of monomeric seleno‐, thio‐, and formic acids and that of three of their dimeric species, based on variational transition state theory and multidimensional tunneling calculations in the gas‐phase, from 10 K to 300 K. These provide, firstly, reliable
Judith Wurmel, John M. Simmie
wiley +1 more source
Simulating chalcogen bonding using molecular mechanics: a pseudoatom approach to model ebselen. [PDF]
J Mol Model, 2022 Fellowes T, White JM.
europepmc +1 more source
Small, EarlyView.Bio‐inspired computing offers a route to highly energy‐efficient artificial intelligence. The unique physical properties of two‐dimensional (2D) materials can further enhance such computing approaches. This perspective highlights recent developments in 2D materials‐based neuromorphic devices and discusses future opportunities for integrating such novel
Jin Feng Leong +9 more
wiley +1 more source
Small, EarlyView.PiFM‐led investigation of material‐specific electrochemical aryl diazonium reduction on 2D transition metal dichalcogenide MoSe2‐WSe2 lateral heterostructure monolayers, with mechanisms explained by molecular dynamics simulations. ABSTRACT Understanding the molecular‐level mechanisms governing covalent functionalization of two‐dimensional ...
Maziar Jafari +5 more
wiley +1 more source
Heavy‐Metal‐Free Colloidal Quantum Dots for Photocatalysis
Small, EarlyView.Heavy‐metal‐free colloidal quantum dots provide sustainable photocatalytic platforms by combining tunable band structures, strong light absorption, and programmable surfaces/interfaces. This Review highlights how core/shell engineering, alloying, defect regulation, ligand design, and hybrid‐interface construction direct charge separation and ...
Xintong Xu, Ge Yang, Qin Li, Dechao Chen
wiley +1 more source
Reply to a Comment on "The Nature of Chalcogen-Bonding-Type Tellurium-Nitrogen Interactions". [PDF]
Angew Chem Int Ed Engl, 2021 Vishnevskiy YV, Mitzel NW.
europepmc +1 more source
Small, EarlyView.In the context of phase heterostructures on two‐dimensional materials, a high‐precision direct writing approach is employed. This involves using a focused ion beam to transform molybdenum disulfide to the metallic 1T phase, followed by retransformation via ultrashort pulse laser processing.
Marvin Krüner +8 more
wiley +1 more source