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Crystallographic and spectroscopic studies on ethylenediaminetetraacetic acid (edta) III. Crystal and molecular structure of α-edta and infrared studies on α- and β-edta

✍ Scribed by M. F. C. Ladd; D. C. Povey; B. C. Stace


Book ID
105261339
Publisher
Springer
Year
1974
Tongue
English
Weight
597 KB
Volume
4
Category
Article
ISSN
1572-8854

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## Abstract We report here the results from theoretical calculations of the potential energy curves, the geometry optimizations, and the electronic structures for three dimers of lithium phthalocyanine (LiPc) by using three types of functional systems: PBE1PBE, B3LYP, and M06. The results were disc