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Theoretical studies of sulfuric acid monohydrate: Neutral or ionic complex?

✍ Scribed by L. Kurdi; E. Kochanski


Book ID
107734538
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
494 KB
Volume
158
Category
Article
ISSN
0009-2614

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Ab initio and DFT calculations performed on the title systems revealed two types of structures for both DMDS-HNO 3 and DMDO-HNO 3 complexes. In both structures two hydrogen bonds are formed between the OH group interacting with one of sulfur (or oxygen) atoms and methyl CH group being a proton donor