Ab Initio Kinetic Modeling of Free-Radical Polymerization

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

Original languageEnglish
Title of host publicationRate Constant Calculation for Thermal Reactions
Subtitle of host publicationMethods and Applications
EditorsHerbert DaCosta, Maohong Fan
Place of PublicationHoboken, New Jersey
PublisherJohn Wiley & Sons
Pages283-304
Number of pages22
ISBN (Electronic)9781118166123
ISBN (Print)9780470582305
DOIs
Publication statusPublished - 7 Dec 2011
Externally publishedYes

Keywords

  • ab initio kinetic modeling, to RAFT modeling problems
  • Free-radical polymerization, industrial process
  • Quantum chemistry, and rate coefficients, in free-radical

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