Analysis of Poly(2-Hydroxyethyl~Methacrylate)-co- Poly(4-Vinyl Pyridine) Copolymers [COP2,4] Irradiated: an EPR study

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Electronic Structure Investigation of Octahedral Complex and Nano ring by NBO Analysis: An EPR Study

To calculation non-bonded interaction of the [CoCl6]3- complex embedded in nano ring, we focus on the single wall boron-nitride B18N18 nano ring. Thus, the geometry of B18N18 nano ring has been optimized by B3LYP method with EPR-II (Electron paramagnetic resonance) basis set and geometry of the [CoCl6]3- complex has been optimized at B3LYP method with Aldrich’s VTZ basis set and Stuttgart RSC 1...

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ژورنال

عنوان ژورنال: Acta Physica Polonica A

سال: 2016

ISSN: 0587-4246,1898-794X

DOI: 10.12693/aphyspola.130.167