Structure and Energetics of Poly(Ethylene Glycol) Cationized by Li+, Na+, K+ and Cs+: A First-Principles Study

Autor: Károly Vékey, György Lendvay, Antony Memboeuf

Publikováno v: European Journal of Mass Spectrometry
European Journal of Mass Spectrometry, IM Publications, 2011, 17 (1), pp.33-46. ⟨10.1255/ejms.1107⟩

Density functional theoretical methods, including several basis sets and two functionals, were used to collect information on the structure and energetic parameters of poly(ethylene glycol) (PEG), also referred to as poly(ethylene oxide) (PEO), coord

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1a09a987da60d11e27f80e7fa97d52dd
https://doi.org/10.1255/ejms.1107