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Molecular interaction of oxazine dyes in aqueous solution: Temperature dependent molecular disposition of the aggregates

✍ Scribed by Amitabha Chakraborty; Ratan Adhikari; Swapan K. Saha


Book ID
113805910
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
433 KB
Volume
164
Category
Article
ISSN
0167-7322

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✍ R.L. Mancera; A.D. Buckingham πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 485 KB

A series of molecular dynamics simulations has been performed on a system comprising 256 water molecules and four ethane molecules at 279, 299, 313, 317, 322, 332 and 346 K. Radial distribution functions for the water-water and ethane-water pairs reveal a structuring of the first hydration shell of