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On the re-engineered TIP4P water models for the prediction of vapor–liquid equilibrium

✍ Scribed by Ariel A. Chialvo; Albert Bartók; András Baranyai

Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
341 KB
Volume
129
Category
Article
ISSN
0167-7322

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Chemometric study of liquid water simula
Chemometric study of liquid water simulations. I. The parameters of the TIP4P model potential
✍ Marcelo Zaldini Hernandes; João Bosco P. Da Silva; Ricardo L. Longo 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 140 KB

## Abstract The multivariate chemometric techniques two level factorial design (TLFD) and principal component analysis (PCA) were used to investigate the TIP4P model potential behavior with respect to perturbations on all intermolecular interaction parameters. The effects of these perturbations wer