caa a22 4500 46581882X CHVBK 20180323112130.0 cr unu---uuuuu 170327e19900101xx s 000 0 eng 10.1007/BF01112350 doi (NATIONALLICENCE)springer-10.1007/BF01112350 The estimation of electron affinities from ab initio 1 s orbital energies [Elektronische Daten] [Kenneth Tupper, Ernest Davidson, Joseph Gajewski] Summary: It has been found that the electron affinities of alkoxy-radicals can be estimated using a correlation with the 1s orbital energy of the oxygen on the associated alkoxy-anion, EA=−0.64503 * (1s orbital energy) −351.58. The method assumes that the species of interest accepts the electron into an orbital which is localized on the oxygen. Springer-Verlag, 1990 Alkoxy nationallicence Electron affinity nationallicence Tupper Kenneth Department of Chemistry, Indiana University, 47405, Bloomington, IN, USA aut Davidson Ernest Department of Chemistry, Indiana University, 47405, Bloomington, IN, USA aut Gajewski Joseph Department of Chemistry, Indiana University, 47405, Bloomington, IN, USA aut Theoretica chimica acta Springer-Verlag 78/1(1990-01-01), 25-30 0040-5744 78:1<25 1990 78 214 https://doi.org/10.1007/BF01112350 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF01112350 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Tupper Kenneth Department of Chemistry, Indiana University, 47405, Bloomington, IN, USA aut NATIONALLICENCE 700 1- Davidson Ernest Department of Chemistry, Indiana University, 47405, Bloomington, IN, USA aut NATIONALLICENCE 700 1- Gajewski Joseph Department of Chemistry, Indiana University, 47405, Bloomington, IN, USA aut NATIONALLICENCE 773 0- Theoretica chimica acta Springer-Verlag 78/1(1990-01-01), 25-30 0040-5744 78:1<25 1990 78 214 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer