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A DFT Study of Acetylenic Alkali Metal Thiolates

✍ Scribed by M. L. Petrov; A. V. Belyakov

Book ID
106522838
Publisher
Springer
Year
2005
Tongue
English
Weight
72 KB
Volume
75
Category
Article
ISSN
1070-3632

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πŸ“œ SIMILAR VOLUMES

DFT theoretical studies of alkali metal
DFT theoretical studies of alkali metal acetylenic thiolates
✍ Mikhail L Petrov; Alexander V Belyakov πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 French βš– 164 KB

It follows from DFT calculations of acetylenic thiolates and their structural isomers-thioketenes and thiirenes that only the acetylenic type is stable. Most of the negative charge is concentrated on the sulfur atom. The influence of the cation (Li, Na, K) and the acetylenic substituent on the elect