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Spectral signs of the internal heavy-atom effect in aliphatic carbonyl compounds

✍ Scribed by L. V. Orlovskaya; I. V. Sokolova


Book ID
112497990
Publisher
Springer
Year
1974
Tongue
English
Weight
285 KB
Volume
17
Category
Article
ISSN
1573-9228

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Linear dependence between the experimental K, line shifts and Mulliken atomic charges obtained by SCF ab initio calculations with 4-31G, 4-31G, and 4-31G" basis sets for the E S, and Cl atoms have been found. The electron density redistribution of PCl, and SPCZ, free ligands o n their complexation