Dependence of C C stretching wavenumber on polyene length in degraded polyvinyl chloride: a comparative empirical, classical mechanics, and DFT study
Sergey Kuznetsov, Е.А. Сагитова, K. A. Prokhorov, D. I. Mendeleev, G Yu Nikolaeva, Leila Yu. Ustynyuk, Arnulf Materny, Patrice Donfack
Topics & Concepts
PolyeneWavenumberChemistryComputational chemistryPolyvinyl chlorideFunction (biology)Exponential functionThermodynamicsCrystallographyMolecular physicsPhysicsMathematical analysisOrganic chemistryQuantum mechanicsMathematicsBiologyEvolutionary biologyPolymer Science and PVC