A general purpose model for the condensed phases of water: TIP4P/2005.

By J. L. Abascal, Carlos Vega. Journal of Chemical Physics, 2005

3,590 citations recorded by the source corpus.

Subfields: Atmospheric Science, Biomedical Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/b280a1d505f670dc656db557007edc2a91404801

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In Atmospheric Science

1. A. Michaelides
2. B. Slater
3. Yue Yang
4. Sergio Ernesto Wong
5. Felice C. Lightstone

In Biomedical Engineering

1. I. Tsimpanogiannis
2. L. F. Franco
3. Othonas A. Moultos
4. A. Michaelides
5. B. Slater
6. Yue Yang
7. Sergio Ernesto Wong
8. Felice C. Lightstone

In Materials Chemistry

1. P. Bowen
2. A. Michaelides
3. B. Slater
4. Yue Yang
5. Sergio Ernesto Wong
6. Felice C. Lightstone

Citations in the corpus

• Approaches to efficiently estimate solvation and explicit water energetics in ligand binding: the use of WaterMap (2013, positive): “Modified TIP4P models have been introduced by either fitting to reproduce maximum density at 4 (TIP4P/2005 [92]) or introducing polarization effect (TIP4P-FQ [93]), or refitting to reproduce other properties [94,95].”
• Changes in portlandite morphology with solvent composition: Atomistic simulations and experiment (2011, background): “(5), ε and σ are fitted parameters) which is coplanar to the hydrogen and oxygen sites and located on the bisector of the H–O–H angle [20].”
• Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies (2018, methodology): “in Figure 5(a) are SPC [346], SPC/E [39], TIP4P [32], TIP4PHuang [386], and TIP4P/2005 [105].”