First-Principles Study of Aqueous Hydroxide Solutions
journal contribution
posted on 2016-10-25, 16:36 authored by gloria tabacchigloria tabacchi, Bin Chen, Jung-Mee Park, Ivaylo Ivanov, Michael L. Klein, Michele ParrinelloGreen open access version of the paper:
First-Principles Study of Aqueous Hydroxide Solutions
To be cited as:
J. Am. Chem. Soc. 2002, 124, 8534–8535
DOI: 10.1021/ja020350g
Link to the VoR: http://pubs.acs.org/doi/full/10.1021/ja020350g
Popular summary at: https://goo.gl/6mMWuP
This contribution was uploaded during the Open Access Week 2016 and is meant to be a little concrete step to put "Open in Action".
Funding
National Science Foundation CHE-9623017, Deutscher Akademischer Austauschdienst,
History
Usage metrics
Categories
- Other chemical sciences not elsewhere classified
- Inorganic materials (incl. nanomaterials)
- Macromolecular materials
- Structure and dynamics of materials
- Computational chemistry
- Physical chemistry not elsewhere classified
- Radiation and matter
- Solution chemistry
- Theoretical and computational chemistry not elsewhere classified
- Condensed matter modelling and density functional theory
- Other physical sciences not elsewhere classified
- Atomic and molecular physics
- Theoretical quantum chemistry
- Analytical spectrometry
Keywords
liquid wateracqueous solutionhydroxyl groupsfirst-principles molecular dynamicsmodeling and simulationsdensity functional theorycondensed matter physicsliquid systemsmolecular dynamicshydroxidesolvationHydroxide Hydrogen BondingHydroxide Water Clustersdynamical propertiesRadial distribution functionsOA Week 2016Chemical Sciences not elsewhere classifiedChemical Characterisation of MaterialsComputational ChemistryPhysical Chemistry not elsewhere classifiedRadiation and MatterSolution ChemistryTheoretical and Computational Chemistry not elsewhere classifiedCondensed Matter Modelling and Density Functional TheoryPhysical Sciences not elsewhere classifiedMolecular PhysicsQuantum ChemistryStructural Chemistry and Spectroscopy
Licence
Exports
RefWorks
BibTeX
Ref. manager
Endnote
DataCite
NLM
DC