Application of transition state theory to the study of materials containing acryloxy and acrylate units

Autor:	B. Jeffrey Sherman, Vassilios Galiatsatos
Rok vydání:	2005
Předmět:	chemistry.chemical_compound Acrylate Molecular dynamics Transition state theory Monomer Materials science Polymers and Plastics chemistry Polymer science Organic Chemistry Polymer chemistry Materials Chemistry Complement (set theory)
Zdroj:	Polymer. 46:4384-4389
ISSN:	0032-3861
DOI:	10.1016/j.polymer.2005.03.007
Popis:	We study the diffusion behavior of a probe, in monomers containing acryloxy and acrylate units that are commonly used in restorative dentistry. We apply a version of transition state theory with satisfactory results. Results show that transition state theory describes part of the underlying physics successfully thus reinforcing its applicability as a complement and extension to molecular dynamics simulations.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::40bdea97131c3b0b06539777ae82ae50 https://doi.org/10.1016/j.polymer.2005.03.007 Zobrazit plný text záznamu Full Text from ScienceDirect