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Elongation method with intermediate mechanical and electrostatic embedding for geometry optimizations of polymers

artículo científico publicado en 2020

Extent of structural change during the reaction and its relationship to isoselectivity in polypropylene polymerization with ansa-zirconocene/borate catalyst: A computational study

scientific article published on 09 August 2019

Local electronic structure analysis by <i>ab initio</i> elongation method: A benchmark using DNA block polymers

scientific article published in 2022

Rational Method of Monitoring Molecular Transformations on Metal-Oxide Nanowire Surfaces

scientific article published on 26 March 2019

Synthesis of Monodispersedly Sized ZnO Nanowires from Randomly Sized Seeds

artículo científico publicado en 2019

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