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Temperature dependence of the formation of the g ~ 5 EPR signal in the oxygen evolving complex of photosystem II
The temperature dependence of the formation of the g ~ 5 S 2 state electron paramagnetic resonance (EPR) signal in photosystem II (PSII) was...
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The electron–proton bottleneck of photosynthetic oxygen evolution
Photosynthesis fuels life on Earth by storing solar energy in chemical form. Today’s oxygen-rich atmosphere has resulted from the splitting of water...
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The breakthrough of a quantum chemist by classical dynamics: Martin Karplus and the birth of computer simulations of chemical reactions
1964–1965 was an early, crucial period in Martin Karplus’ research—a time when, rather unexpectedly, he approached the problem of reactive collisions...
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Mathematics and Oenology: Exploring an Unlikely Pairing
The aim of this chapter is to discuss some applications of mathematics: in oenology and in food and wine pairing. We introduce and study some partial...
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Novel NO removal using combined sodium erythorbate and FeIIEDTA system
To solve the difficulty of easy oxidation of Fe II EDTA in nitric oxide removal, Fe II EDTA combined with sodium erythorbate (SE) was employed for nitric...
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Catalytic effect of high thermal conductive SiC on the kinetics and thermodynamics of vulcanization reaction of SBR/BR-filled nano-SiC
Nano-silicon carbide (SiC) as a high thermal conductive material with an intrinsic thermal conductivity of ~ 490 W/m K was used to improve the cure...
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Synthesis and physicochemical evaluations of a novel MIL-101(Fe)-PMA-Biochar triple composite photocatalyst activated through visible-light and utilized toward degradation of organic pollutants: optimal operations and kinetics investigations
A triple photocatalytic composite of biochar, metal–organic framework, and phosphomolybdic acid was prepared through hydrothermal treatment of iron...
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A Study of Factors Affecting Various Reactions of Thermal Decomposition of Ethyl Fluoroformate Using Ab Initio Quantum Mechanics Calculations
AbstractThe thermal decomposition reaction of ethyl fluoroformate was investigated at two levels of theory of MP2 and DFT in the gas phase at three...
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Synthesis of MIL-68 (Al) Catalyst and Optimization of Green Biodiesel Production from Waste Cooking Oil
Given the ongoing crisis of depleting fossil fuel reserves and rising demand for biofuels, scientists are increasingly driven to explore more...
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Substitutions on Saturated Carbon Atom
The theory of reaction mechanisms is explained in more details on the examples of nucleophilic and radical substitutions on the saturated carbon...
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Theoretical rate constant of methane oxidation from the conventional transition-state theory
The potential energy surface for the first step of the methane oxidation CH 4 + O 2 ➔CH 3 + HO 2 was studied using the London-Eyring-Polanyi-Sato equation...
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Edge sites dominate the hydrogen evolution reaction on platinum nanocatalysts
Platinum nanocatalysts facilitate the hydrogen evolution reaction (HER) for renewable chemical fuel generation. These nanostructures encompass...
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Electron Transfer Reaction of Tris(1,10-phenanthroline)cobalt(III) Complex and Iodide Ion in An Aqueous Acidic Medium
The kinetics and mechanistic study of the electron transfer of tris(1,10-phenanthroline)cobalt(III) complex and iodide ion has been carried out in an...
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Synthesis of nanomagnetite/copper oxide/potassium carrageenan nanocomposite for the adsorption and Photo-Fenton degradation of Safranin-O: kinetic and thermodynamic studies
In the current study, a novel nanomaterial called nanomagnetite/copper oxide/potassium carrageenan nanocomposite (MKCO) was fabricated to include...
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Renewable and safer bisphenol A substitutes enabled by selective zeolite alkylation
Bisphenol A (BPA) is an industrial chemical that has been used for the manufacturing of polycarbonate plastics, epoxy resins and other consumer...
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Ab Initio Calculations
Ab initio calculations rest on solving the Schrödinger equation; the nature of the necessary approximations determines the level of the calculation....
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Hydroxyapatite Fenton-like catalysis for methyl violet degradation. Effect of operating parameters and kinetic study
Behind the various properties and application of Hydroxyapatite (HA), we demonstrate in this work its crucial role in hydroxyl radical HO • ...
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Ion solvation kinetics in bipolar membranes and at electrolyte–metal interfaces
Ion (de)solvation at solid–electrolyte interfaces is pivotal for energy and chemical conversion technology, such as (electro)catalysis, batteries and...
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Mercury migration and re-emission in a simulated wet flue gas desulfurization system
Experiments were conducted in a simulated wet flue gas desulfurization (WFGD) system to investigate the effects of sulfite, slurry temperature, pH...
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Illuminating the dark conformational space of macrocycles using dominant rotors
Three-dimensional conformation is the primary determinant of molecular properties. The thermal energy available at room temperature typically...
