Christine M. Isborn
The Charge Transfer Problem in Density Functional Theory Calculations of Aqueously Solvated Molecules
Isborn, Christine M.; Mar, Brendan D.; Curchod, Basile F.E.; Tavernelli, Ivan; Martinez, Todd J.
Authors
Brendan D. Mar
Dr Basile Curchod basile.f.curchod@durham.ac.uk
Academic Visitor
Ivan Tavernelli
Todd J. Martinez
Citation
Isborn, C. M., Mar, B. D., Curchod, B. F., Tavernelli, I., & Martinez, T. J. (2013). The Charge Transfer Problem in Density Functional Theory Calculations of Aqueously Solvated Molecules. Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry), 117(40), 12189-12201. https://doi.org/10.1021/jp4058274
| Journal Article Type | Article |
|---|---|
| Publication Date | 2013 |
| Deposit Date | Nov 6, 2017 |
| Journal | Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry) |
| Print ISSN | 1520-6106 |
| Electronic ISSN | 1520-5207 |
| Publisher | American Chemical Society |
| Volume | 117 |
| Issue | 40 |
| Pages | 12189-12201 |
| DOI | https://doi.org/10.1021/jp4058274 |
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