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Dynamic energy budget approach to modeling mechanisms of CdSe quantum dot toxicity

✍ Scribed by Klanjscek, Tin; Nisbet, Roger M.; Priester, John H.; Holden, Patricia A.


Book ID
121666249
Publisher
Springer
Year
2013
Tongue
English
Weight
506 KB
Volume
22
Category
Article
ISSN
0963-9292

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Dispersion and repulsion contributions t
✍ Carles Curutchet; Modesto Orozco; F. Javier Luque; Benedetta Mennucci; Jacopo To πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 262 KB πŸ‘ 1 views

## Abstract We report a systematic comparison of the dispersion and repulsion contributions to the free energy of solvation determined using quantum mechanical self‐consistent reaction field (QM‐SCRF) and classical methods. In particular, QM‐SCRF computations have been performed using the dispersio