Charge iterated parameters for extended Hückel calculations on polytetrafluoroethylene: relevance to X-ray photoelectron spectroscopy

Application of extended Hückel theory to

Application of extended Hückel theory to x-ray photoelectron spectra of transition metal complexes. Correlations between electron binding energy and calculated atomic charge in iron and sulphur compounds

✍ L.N. Kramer; M.P. Klein 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 489 KB

Comparisons of iron and sulphur atomic charges, derived fram extended Hiickeef calcutntions, with core electron binding energies determined from X-rap photoelectron spectrostopy yield good correlations Car neutral molecules. The assumptions and limitations of such correlations are discussed briefly.