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Use of Monte Carlo Simulation for Human Exposure Assessment at a Superfund Site

✍ Scribed by Roy L. Smith


Book ID
109156988
Publisher
Springer
Year
1994
Tongue
English
Weight
444 KB
Volume
14
Category
Article
ISSN
1573-9147

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πŸ“œ SIMILAR VOLUMES


Development of a perturbative approach f
✍ Thanh N. Truong; Eugene V. Stefanovich πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 347 KB

We present the development and assessment on the accuracy of a perturbative approach for Monte Carlo simulations using a hybrid ab initio quantum mechanical/molecular mechanics (QM/MM) potential. The central idea of this approach is that for most solvent moves, the changes in the solute wavefunction