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PubMed Publications| Keyword search (4,163 papers available) |  |
"Tao-Nhân V Nguyen" Authored Publications:
| Title | Authors | PubMed ID | |
|---|---|---|---|
| 1 | Microsolvation of the sodium and iodide ions and their ion pair in acetonitrile clusters: a theoretical study | Tao-Nhân V Nguyen | 18183958 CERMM |
| Title: | Microsolvation of the sodium and iodide ions and their ion pair in acetonitrile clusters: a theoretical study | ||||
| Authors: | Tao-Nhân V Nguyen | ||||
| Link: | https://pubmed.ncbi.nlm.nih.gov/18183958/ | ||||
| DOI: | 10.1021/jp076567k | ||||
| Publication: | The journal of physical chemistry. B | ||||
| Keywords: | |||||
| PMID: | 18183958 | Category: | Date Added: | 2008-01-11 | |
| Dept Affiliation: |
CERMM
1 Centre for Research in Molecular Modeling and Department of Chemistry & Biochemistry, Concordia University, Montréal, Québec, Canada. |
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Description: |
The structural and thermodynamic properties of Na+(CH3CN)n, I-(CH3CN)n, and NaI(CH3CN)n clusters have been investigated by means of room-temperature Monte Carlo simulations with model potentials developed to reproduce the properties of small clusters predicted by quantum chemistry. Ions are found to adopt an interior solvation shell structure, with a first solvation shell containing approximately 6 and approximately 8 acetonitrile molecules for large Na+(CH3CN)n and I-(CH3CN)n clusters,... |
