The Contributions of Supramolecular Kinetics to Dynamics of Supramolecular Polymers.
Sign Up to like & getrecommendations! Published in 2022 at "ChemPlusChem"
DOI: 10.1002/cplu.202200279
Abstract: Supramolecular polymers exhibit well-controlled dynamics with fascinating capacity for remodeling, self-healing, and stimuli-responsiveness. Supramolecular kinetics of non-covalent bonds is a dominant control handle among the relevant factors to tailor dynamics of supramolecular polymers. This Review… read more here.
Keywords: supramolecular kinetics; contributions supramolecular; kinetics dynamics; supramolecular polymers ... See more keywords
Predicting Kinetics and Dynamics of Spin-Dependent Processes.
Sign Up to like & getrecommendations! Published in 2023 at "Accounts of chemical research"
DOI: 10.1021/acs.accounts.2c00843
Abstract: ConspectusPredicting mechanisms and rates of nonadiabatic spin-dependent processes including photoinduced intersystem crossings, thermally activated spin-forbidden reactions, and spin crossovers in metal centers is a very active field of research. These processes play critical roles in… read more here.
Keywords: electronic structure; spin dependent; kinetics dynamics; dependent processes ... See more keywords
Energetics, kinetics and dynamics of self-interstitial clusters in bcc tungsten
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DOI: 10.1080/08927022.2019.1578356
Abstract: ABSTRACT The configuration, slipping and rotation of self-interstitial atoms cluster along crystal orientation with different sizes in a tungsten are investigated systematically with molecular dynamics. It is found that (I) the SIA clusters with high… read more here.
Keywords: energetics kinetics; self interstitial; sia clusters; sias cluster ... See more keywords
Current Status of the X + C2H6 [X ≡ H, F(2P), Cl(2P), O(3P), OH] Hydrogen Abstraction Reactions: A Theoretical Review
Sign Up to like & getrecommendations! Published in 2022 at "Molecules"
DOI: 10.3390/molecules27123773
Abstract: This paper is a detailed review of the chemistry of medium-size reactive systems using the following hydrogen abstraction reactions with ethane, X + C2H6 → HX + C2H5; X ≡ H, F(2P), Cl(2P), O(3P) and… read more here.
Keywords: review; abstraction reactions; hydrogen; kinetics dynamics ... See more keywords