Results 51 to 60 of about 30,941 (214)
On the Reaction Mechanism of Nitrate Radical and DMPO in Non‐aqueous Photocatalytic Media
Chemistry – A European Journal, EarlyView.This work identifies 2‐oxo‐5,5‐dimethyl‐1‐pyrroline 1‐oxyl (DMPOX), formed via the selective oxidation of 5,5‐dimethyl‐1‐pyrroline N‐oxide (DMPO) by nitrate radicals (NO3•) in nonaqueous media, as a distinctive EPR fingerprint of NO3•. The DFT‐supported mechanism clarifies its formation pathway and highlights DMPOX detection as a robust tool for ...
Alessandro Gottuso +4 more
wiley +1 more source
W3 theory: robust computational thermochemistry in the kJ/mol accuracy range
, 2003 We are proposing a new computational thermochemistry protocol denoted W3 theory, as a successor to W1 and W2 theory proposed earlier [Martin and De Oliveira, J. Chem. Phys. 111, 1843 (1999)]. The new method is both more accurate overall (error statistics
Atasoylu, Onur +5 more
core +1 more source
Chemistry – A European Journal, EarlyView.A Cu2P triangle captured in a tetrapodal phosphane tris(olefin) ligand, where all binding forces are weak apart from the Cu─P interaction. ABSTRACT The molecule Ptrop3 contains in each trop unit (trop = dibenzo[a,d]cyclohepten‐5‐yl) a rigid central seven‐membered ring with an olefinic binding site making Ptrop3 potentially a tetradentate ligand ...
Zhongshu Li +6 more
wiley +1 more source
A simple model for molecular hydrogen chemistry coupled to radiation hydrodynamics [PDF]
, 2018 We introduce non-equilibrium molecular hydrogen chemistry into the radiation hydrodynamics code Ramses-RT. This is an adaptive mesh refinement grid code with radiation hydrodynamics that couples the thermal chemistry of hydrogen and helium to moment ...
Nickerson, Sarah +2 more
core +3 more sources
Flexible Phase Change Bandage Incorporated With Zeolite for Temperature‐Controlled Wound Hemostasis
ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.A novel flexible hemostatic phase change bandage (HPB) was designed and constructed through chemical cross‐linking and electrospinning to mitigate thermal injury and broaden the application of PCMs in the medical field. Furthermore, the flexible HPB shows thermal stability, strong mechanical strength, excellent infiltration, and reliable thermal ...
Xinyu Zhang +8 more
wiley +1 more source
ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.A first‐of‐its‐kind review benchmarks three solar methane valorization pathways with unified performance metrics for clean fuel production. Meeting global climate targets and sustainable energy demands requires carbon‐neutral fuels and innovative conversion pathways.
Muhammad Abdulmoez +3 more
wiley +1 more source
Multisite PCET with photocharged carbon nitride in dark
Exploration, 2021 A combination of photochemistry and proton coupled electron transfer (PCET) is a primary strategy employed by biochemical systems and synthetic chemistry to enable uphill reactions under mild conditions.
Stefano Mazzanti +4 more
doaj +1 more source
Structure of the analytical theories of heat
Revista Brasileira de Ensino de Física, 2022 We examine the analytical theories of heat developed by Laplace, Poisson and Carnot, and the thermodynamic theories based on the energy conservation and the principle of the increase of entropy formulated by Clausius.
Mário J. de Oliveira
doaj +1 more source
Femtosecond dynamics of hydrogen elimination: benzene formation from cyclohexadiene [PDF]
, 2000 Using femtosecond-resolved mass spectrometry in a molecular beam, we report real-time study of the hydrogen elimination reaction of 1,4-cyclohexadiene. The experimental observation of the ultrafast stepwise H-elimination elucidates the reaction dynamics ...
De Feyter, Steven +2 more
core +1 more source
Kinetics of anionic polymerization of β‐myrcene in hydrocarbon solvents
Polymer International, EarlyView.The process of anionic polymerization of β‐myrcene in hydrocarbon solvents was examined by kinetic studies and quantum chemical calculations. Abstract The kinetics of anionic polymerization of β‐myrcene initiated by sec‐butyllithium were examined in saturated and unsaturated hydrocarbon solvents, i.e. cyclohexane, cyclohexene, 4‐vinylcyclohexene and dl‐
Alexander Rösler +4 more
wiley +1 more source