New insights on lithium-cation microsolvation by solvents forming hydrogen-bonds: water versus methanol

This investigation uses a recent methodology, essentially based on our evolutionary algorithm (EA) to get new insights about the energetics and structure of the first solvation shells of lithium ion in polar solvents that form important hydrogen bonds. We employed the EA to search for the low-energy...

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Bibliographic Details
Main Author: Llanio-Trujillo, J. L. (author)
Other Authors: Marques, J. M. C. (author), Pereira, F. B. (author)
Format: article
Language:eng
Published: 2013
Subjects:
Li+ microsolvation
Water
Methanol
Hydrogen bonds
Evolutionary algorithms
Electronic structure calculations
Online Access:http://hdl.handle.net/10316/27415
Country:Portugal
Oai:oai:estudogeral.sib.uc.pt:10316/27415

Internet

http://hdl.handle.net/10316/27415

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