검색결과 : 3건
| No. | Article |
|---|---|
| 1 |
Reversibility from DFT-Based Reactivity Indices: Intramolecular Side Reactions in the Polymerization of Poly(vinyl chloride) De Vleeschouwer F, Toro-Labbe A, Gutierrez-Oliva S, Van Speybroeck V, Waroquier M, Geerlings P, De Proft F Journal of Physical Chemistry A, 113(27), 7899, 2009 |
| 2 |
Cyclopolymerization Reactions of Diallyl Monomers: Exploring Electronic and Steric Effects Using DFT Reactivity Indices Ugur I, De Vleeschouwer F, Tuzun N, Aviyente V, Geerlings P, Liu SB, Ayers PW, De Proft F Journal of Physical Chemistry A, 113(30), 8704, 2009 |
| 3 |
First Principles Based Group Additive Values for the Gas Phase Standard Entropy and Heat Capacity of Hydrocarbons and Hydrocarbon Radicals Sabbe MK, De Vleeschouwer F, Reyniers MF, Waroquier M, Marin GB Journal of Physical Chemistry A, 112(47), 12235, 2008 |