BIP! Finder - Model Studies on the Binding of Lithium and Beryllium in Biological Systems

1980 • Model Studies on the Binding of Lithium and Beryllium in Biological Systems

Authors: A. Henriksson-Enflo; I. Fischer-Hjalmars; M. R. A. Blomberg

Venue: Israel Journal of Chemistry

Type: Publication

Abstract: AbstractComplexes [(C2H2X2)2M]n with ligating atoms X = O, S and central atoms M = Li (n = 0, ± 1) and Be (n = 0, ± 2) have been studied by quantum chemical ab initio calculations. Total energies, relative binding energies and orbital energies of mainly planar complexes of standard geometry have been studied. The effect of variation of geometry including non‐planarity has also been considered. The primary binding region is found to contain appreciable interactions not only within pairs MX but for the sulfur case also of the type XX'. The ch... (read more)

Impact:

2.9155667E-10 3.9743373E-9 13 4

/ Attention: 0 23

Topics: Crystallography Computational chemistry Atomic physics

DOI: 10.1002/ijch.198000014

External links: Crossref OpenAIRE

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