Results 11 to 20 of about 6,218,927 (299)
Dataset Design for Building Models of Chemical Reactivity. [PDF]
ACS Cent Sci, 2023 Models can codify our understanding of chemical reactivity and serve a useful purpose in the development of new synthetic processes via, for example, evaluating hypothetical reaction conditions or in silico substrate tolerance.
Raghavan P +7 more
europepmc +2 more sources
Chemical Bonding by the Chemical Orthogonal Space of Reactivity [PDF]
International Journal of Molecular Sciences, 2020 The fashionable Parr–Pearson (PP) atoms-in-molecule/bonding (AIM/AIB) approach for determining the exchanged charge necessary for acquiring an equalized electronegativity within a chemical bond is refined and generalized here by introducing the concepts of chemical power within the chemical orthogonal space (COS) in terms of electronegativity and ...
Mihai V. Putz
openaire +3 more sources
The Chemical Reactivity of Membrane Lipids [PDF]
Chemical ReviewsIt is well-known that aqueous dispersions of phospholipids spontaneously assemble into bilayer structures. These structures have numerous applications across chemistry and materials science and form the fundamental structural unit of the biological membrane.
Genevieve Duché, John M Sanderson
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Extracting Value from Marine and Microbial Natural Product Artifacts and Chemical Reactivity [PDF]
Marine DrugsNatural products are and continue to be a remarkable resource, rich in structural diversity, and endowed with valuable chemical and biological properties that have advanced both science and society.
Mark S. Butler, Robert J. Capon
doaj +2 more sources
Chemical reactivity from an activation strain perspective.
Chem Commun (Camb), 2021 Chemical reactions are ubiquitous in the universe, they are at the core of life, and they are essential for industrial processes. The drive for a deep understanding of how something occurs, in this case, the mechanism of a chemical reaction and the ...
Vermeeren P, Hamlin TA, Bickelhaupt FM.
europepmc +2 more sources
Editorial: Chemical reactivity and solution structure [PDF]
Frontiers in Chemistry, 2023 Leonid O. Kononov +2 more
doaj +2 more sources
Graph transformer neural network for chemical reactivity prediction [PDF]
, 2023 Optimizing the properties of advanced drug candidates can be facilitated by directly introducing certain chemical groups without having to synthesize the molecules from scratch.
David B., Konrad +10 more
core +2 more sources
Modification of ground state chemical reactivity via light-matter coherence in infrared cavities [PDF]
, 2023 Reaction-rate modifications for chemical processes have been reported due to strong coupling between reactant molecular vibrations and the cavity vacuum, however, no accepted mechanisms explain these observations.
Wonmi, Ahn +9 more
core +1 more source
Frontiers in Chemistry, 2022 Reactivity descriptors indicate where a reagent is most reactive and how it is most likely to react. However, a reaction will only occur when the reagent encounters a suitable reaction partner.
Ramón Alain Miranda-Quintana +9 more
doaj +1 more source
Supramolecular approaches to mediate chemical reactivity [PDF]
Beilstein Journal of Organic Chemistry, 2022 Pablo Ballester +2 more
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