Computational study on vapor phase coupling reaction between diiso(thio)cyanates with diamines, diols, and dithiols

Coupling between iso(thio)cyanates and amines, alcohols, and thiols to yield (thio)urea/urethane in the gas phase is important for the vacuum deposition processes of functional organic thin films such as molecular layer deposition or chemical vapor deposition. In this study, the kinetics and thermod...

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Veröffentlicht in:	International journal of quantum chemistry 2017-04, Vol.117 (7), p.n/a
Hauptverfasser:	Lee, Jae Young, Kim, Ahhyun, Oh, Woo‐Suk, Shong, Bonggeun
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry density functional theory isocyanate isothiocyanate oligomerization Physical chemistry polymerization Quantum physics
Online-Zugang:	Volltext
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