Results 251 to 260 of about 598,568 (300)
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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.
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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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The chemical and biochemical reactivity of dichlorvos
Archives of Toxicology, 1978The chemical structure, reactivity and metabolic fate of the insecticide dichlorvos (2,2-dichlorovinyl dimethyl phosphate) are discussed in relation to the possible genotoxicity of this and other methyl phosphate triesters. Recent attempts to demonstrate the methylation of DNA following exposure of bacteria and animals to dichlorvos are reviewed.
A S, Wright, D H, Hutson, M F, Wooder
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Theory of surface chemical reactivity
Russian Journal of Physical Chemistry B, 2007Fundamental reactivity concepts of relevance to the reactivity of transition metal surfaces are reviewed using elementary quantum-chemical concepts. The Newns-Anderson tight binding model of chemisorption is presented and subsequently used to outline the electronic structure characteristics of weak versus strong chemisorption. Fundamental concepts such
Santen, van, R.A., Neurock, M.
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Controlling Chemical Reactivity with Antibodies
Science, 1993The remarkable specificity of an antibody molecule has been used to accomplish highly selective functional group transformations not attainable by current chemical methods. An antibody raised against an amine-oxide hapten catalyzes the reduction of a diketone to a hydroxyketone with greater than 75:1 regioselectivity for one of two nearly equivalent ...
Hsieh-Wilson, Linda C. +3 more
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A Singularity Model for Chemical Reactivity
Chemistry – A European Journal, 2010AbstractThis article proposes a model for chemical reactivity that involves singularities (“catastrophes”) in the timing of bond‐making and bond‐breaking events. The common stapler is a good mechanical analogy: As hand‐pressure is increased on the machine, the staple hardly changes its configuration until the staple suddenly bends.
Fredric M, Menger, Rafik, Karaman
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On the Foundations of Chemical Reactivity Theory
The Journal of Physical Chemistry A, 2007In formulating chemical-reactivity theory (CRT) so as to give it a deep foundation in density-functional theory (DFT), Parr, his collaborators, and subsequent workers have introduced reactivity indices as properties of isolated reactants, some of which are in apparent conflict with the underlying DFT. Indices which are first derivatives with respect to
Morrel H, Cohen, Adam, Wasserman
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The Problem of Chemically Reactive Metabolites
Drug Metabolism Reviews, 1982(1982). The Problem of Chemically Reactive Metabolites. Drug Metabolism Reviews: Vol. 13, No. 6, pp. 941-961.
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Solvent Effects on Chemical Reactivity
Bulletin des Sociétés Chimiques Belges, 1982Abstract
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Chemical Reactivity of Ni-Rh Nanowires
Physical Review Letters, 2006The properties of bimetallic Ni-Rh nanowires, fabricated by decorating the steps of vicinal Rh(111) surfaces by stripes of self-assembled Ni adatoms, have been probed by STM, photoemission, and ab initio density functional theory calculations. These Ni-Rh nanowires have specific electronic properties that lead to a significantly enhanced chemical ...
Schoiswohl, Johannes +5 more
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