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A Molecular Dynamics Simulation for Thermal Activation Process in Covalent Bond Dissociation of a Crosslinked Thermosetting Polymer [PDF]

open access: yesMolecules, 2023
A novel algorithm for covalent bond dissociation is developed to accurately predict fracture behavior of thermosetting polymers via molecular dynamics simulation.
Naoki Yamada   +4 more
doaj   +2 more sources

Two-colour light activated covalent bond formation [PDF]

open access: yesNature Communications, 2022
Dual-wavelength photochemical systems open up new avenues for novel lithographic techniques but currently only few wavelength-orthogonal photoreactive compounds undergoing reversible photoreaction are known.
Sarah L. Walden   +5 more
doaj   +2 more sources

Theoretical studies on anhydride dynamic covalent bond exchange mechanisms [PDF]

open access: yesCommunications Chemistry
Anhydrides have been utilised to synthesize covalent adaptable networks (CANs), enabling the recycling of thermosets and immiscible plastic wastes due to their dynamic bond exchange properties.
Xinglong Zhang   +4 more
doaj   +2 more sources

Research Progress of the Application of Self-Repair Technology Based on Reversible Bond Crosslinked Polymers in Coatings [PDF]

open access: yesCailiao Baohu, 2023
Self-healing coatings mainly include externally assisted self-healing coatings based on the addition of repair agent and intrinsic selfhealing coatings based on reversible bond crosslinking polymers.The intrinsic self-healing coatings have attracted ...
JIANG Li-ping, WEI Hui-rong, NIU Teng, CHEN Pei-lan, LI Yu-xin
doaj   +1 more source

Molecular geometric deep learning

open access: yesCell Reports: Methods, 2023
Summary: Molecular representation learning plays an important role in molecular property prediction. Existing molecular property prediction models rely on the de facto standard of covalent-bond-based molecular graphs for representing molecular topology ...
Cong Shen, Jiawei Luo, Kelin Xia
doaj   +1 more source

Polymeric Emissive Materials Based on Dynamic Covalent Bonds

open access: yesMolecules, 2022
Dynamic covalent polymers, composed of dynamic covalent bonds (DCBs), have received increasing attention in the last decade due to their adaptive and reversible nature compared with common covalent linked polymers.
Shuyuan Zheng, Guofeng Liu
doaj   +1 more source

Molecular Dynamics Simulations of the Mechanical Properties of Cellulose Nanocrystals—Graphene Layered Nanocomposites

open access: yesNanomaterials, 2022
Cellulose nanocrystals (CNCs) have received a significant amount of attention due to their excellent physiochemical properties. Herein, based on bioinspired layered materials with excellent mechanical properties, a CNCs-graphene layered structure with ...
Xingli Zhang   +3 more
doaj   +1 more source

Analysis of chemistry teachers' covalent bond conceptual understanding through diagnostic interview technique

open access: yesJ-PEK (Jurnal Pembelajaran Kimia), 2020
Conceptual understanding of the subject matter is crucial for teachers in conducting instruction. The covalent bond is one of the essential knowledge of chemistry. This knowledge underlies most of the chemistry body knowledge.
Muntholib Muntholib   +2 more
doaj   +1 more source

Electronic strengthening mechanism of covalent Si via excess electron/hole doping

open access: yesScientific Reports, 2023
Brittle fracture of a covalent material is ultimately governed by the strength of the electronic bonds. Recently, attempts have been made to alter the mechanical properties including fracture strength by excess electron/hole doping.
Hiroki Noda   +5 more
doaj   +1 more source

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