Results 271 to 280 of about 5,534,558 (317)
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Review of Chemical Reactivity of Singlet Oxygen with Organic Fuels and Contaminants
The chemical record, 2020Singlet oxygen represents a form of reactive oxygen species (ROS), produced by electronic excitation of molecular triplet oxygen. In general, highly reactive oxygen‐bearing molecules remain the backbone of diverse ground‐breaking technologies, driving ...
Jomana Al-Nu’airat +4 more
semanticscholar +1 more source
Efficiency of Portland-pozzolana cements: Water demand, chemical reactivity and environmental impact
Construction and Building Materials, 2020One main strategy to reduce CO2 emissions of cement industry is clinker replacement by SCMs. However, the addition of SCMs affects chemical reactivity and water demand of blended compositions, influencing mechanical and environmental performances of ...
P. C. Abrão, F. Cardoso, V. John
semanticscholar +1 more source
, 2020
Molecular orbitals are critical in the rationalization of several chemical reactions. Thus, the frontier molecular orbital theory, proposed by Fukui's group, postulated the importance of the Highest Occupied Molecular Orbital (HOMO) and the Lowest ...
L. Braga +3 more
semanticscholar +1 more source
Molecular orbitals are critical in the rationalization of several chemical reactions. Thus, the frontier molecular orbital theory, proposed by Fukui's group, postulated the importance of the Highest Occupied Molecular Orbital (HOMO) and the Lowest ...
L. Braga +3 more
semanticscholar +1 more source
2022
Expanding on the concepts outlined in the first chapter, the general reactivity of the carbonyl group is presented, now including the presence of substituents on the carbon. Nucleophilic addition may compete with hydrogen abstraction from the alpha carbon and addition may take place under thermodynamic or kinetic control, and may require acid catalysis.
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Expanding on the concepts outlined in the first chapter, the general reactivity of the carbonyl group is presented, now including the presence of substituents on the carbon. Nucleophilic addition may compete with hydrogen abstraction from the alpha carbon and addition may take place under thermodynamic or kinetic control, and may require acid catalysis.
openaire +1 more source
Photo-Modulated Spatially Confined Chemical Reactivity in a Single Silver Nanoprism.
ACS Nano, 2020Single atom and single particle catalysis is an area of considerable topical interest due to their potential in understanding important fundamental processes and applications across several areas.
Sushrut Bhanushali +7 more
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Intrinsic Chemical Reactivity of Silicon Electrode Materials: Gas Evolution
, 2020In this work, we explore how the chemical reactivity toward an aprotic battery electrolyte changes as a function of lithium salt and silicon surface termination chemistry.
Claire L. Seitzinger +10 more
semanticscholar +1 more source
Influence of Substituent Groups on Chemical Reactivity Kinetics of Nonfullerene Acceptors
, 2020Substitution (such as fluorine substitution, F-) of terminal groups or atoms in non-fullerene acceptors (NFAs) is an effective strategy to tune the optoelectronic properties of non-fullerene electron acceptors and enhance their photovoltaic performance ...
Lu Hu +5 more
semanticscholar +1 more source
Benchmarking Chemical reactivity
2016'Exact' quantum mechanical calculations of prototypical chemical reactions are crucial in the development of the molecular dynamics. The direct comparison with the output of molecular beams and kinetic measurements permit to test the accuracy of the description of the inter-atomic interaction of quantum chemistry methods1,2 and to deeply investigate ...
Dario De Fazio +2 more
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Nucleosides containing chemically reactive groups
Journal of Medicinal Chemistry, 19815'-Amino-5'-deoxyinosine (1) and 1-(6-amino-2,5,6-trideoxy-beta-D-erythro-hexofuranosyl)thymine (9) were prepared and substituted on the amino group with chemically reactive functions in an effort to find inhibitors of enzymes that metabolize the corresponding nucleotides.
R D, Elliott +2 more
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Quantum Entanglement and Chemical Reactivity
Journal of Chemical Theory and Computation, 2015The water molecule and a hydrogenic abstraction reaction are used to explore in detail some quantum entanglement features of chemical interest. We illustrate that the energetic and quantum-information approaches are necessary for a full understanding of both the geometry of the quantum probability density of molecular systems and the evolution of a ...
M, Molina-Espíritu +3 more
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