Zobrazeno 1 - 1
of 1
pro vyhledávání: '"Zuzanna Jirouskova"'
Publikováno v:
International Journal of Molecular Sciences, Vol 8, Iss 7, Pp 572-582 (2007)
The Electronegativity Equalization Method (EEM) is a fast approach for chargecalculation. A challenging part of the EEM is the parameterization, which is performedusing ab initio charges obtained for a set of molecules. The goal of our work was to pe
Externí odkaz:
https://doaj.org/article/bfd6d70de5504b3089ebbea794a96495
