Theoretical study of the hydrogen-bonded complexes serotonin–water/hydrogen peroxide
✍ Scribed by Vassil B. Delchev; Hans Mikosch
- Book ID
- 106239588
- Publisher
- Springer-Verlag
- Year
- 2005
- Tongue
- English
- Weight
- 411 KB
- Volume
- 12
- Category
- Article
- ISSN
- 1610-2940
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📜 SIMILAR VOLUMES
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
The 1,3,5-triazine-water hydrogen bonding interactions have been investigated using the density functional theory B3LYP method and 6-31++G\*\* basis, obtaining one, two and seven energy minima of the ground states for the 1,3,5-triazine-water, 1,3,5-triazine-(water) 2 and 1,3,5-triazine-(water) 3 co
Ab initio SCF and MP2 calculations have been performed on the structural and energetic properties of HsO-2C0. Three possible energy minima were found, all forming almost linear hydrogen bonds. The most stable species was observed when both carbon monoxide monomers were attached to water via the carb