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Elucidating the Vibrational Spectra of Hydrogen-Bonded Aggregates in Solution: Electronic Structure Calculations with Implicit Solvent and First-Principles Molecular Dynamics Simulations with Explicit Solvent for 1-Hexanol in n -Hexane

✍ Scribed by Stubbs, John M.; Siepmann, J. Ilja


Book ID
127009391
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
220 KB
Volume
127
Category
Article
ISSN
0002-7863

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