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Chemical Reactivity

open access: yes, 2023
The growth of technology for chemical assessment has led to great developments in the investigation of chemical reactivity in recent years, but key information is often dispersed across many different research fields.
Serdaroğlu, Goncagül   +3 more
core   +4 more sources

Enhanced Chemical Reactivity of Graphene Induced by Mechanical Strain

open access: yesACS Nano, 2013
Control over chemical reactivity is essential in the field of nanotechnology. Graphene is a two-dimensional atomic sheet of sp2 hybridized carbon with exceptional properties that can be altered by chemical functionalization.
Masaharu Tsuji, Susumu Okada, Hiroki Ago
exaly   +2 more sources
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Chemical reactivity under nanoconfinement

Nature Nanotechnology, 2020
Confining molecules can fundamentally change their chemical and physical properties. Confinement effects are considered instrumental at various stages of the origins of life, and life continues to rely on layers of compartmentalization to maintain an out-of-equilibrium state and efficiently synthesize complex biomolecules under mild conditions.
Angela B. Grommet   +2 more
openaire   +2 more sources

Chemical Reactivity

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.
openaire   +1 more source

The chemical and biochemical reactivity of dichlorvos

Archives of Toxicology, 1978
The 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
openaire   +2 more sources

Theory of surface chemical reactivity

Russian Journal of Physical Chemistry B, 2007
Fundamental 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.
openaire   +2 more sources

Controlling Chemical Reactivity with Antibodies

Science, 1993
The 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
openaire   +3 more sources

A Singularity Model for Chemical Reactivity

Chemistry – A European Journal, 2010
AbstractThis 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
openaire   +2 more sources

On the Foundations of Chemical Reactivity Theory

The Journal of Physical Chemistry A, 2007
In 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
openaire   +2 more sources

Chemical reactivity

Abstract The chemical reactivity problem is concerned with the question of how molecules react with each other, and how the outcome of chemical reactions can be predicted based on the properties of the molecules involved. This chapter discusses so-called reactivity indices such as the chemical potential, electronegativity, chemical ...
Carsten A. Ullrich, Adam Wasserman
openaire   +1 more source

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