• DOI:10.1021/jp805227c
Corpus ID: 20782587

Water modeled as an intermediate element between carbon and silicon.

@article{Molinero2009WaterMA,
  title={Water modeled as an intermediate element between carbon and silicon.},
  author={V. Molinero and Emily B. Moore},
  journal={The journal of physical chemistry. B},
  year={2009},
  volume={113 13},
  pages={
          4008-16
        }
}

V. Molinero, Emily B. Moore

Published 2009

Materials Science, Chemistry, Medicine, Physics

The journal of physical chemistry. B

Water and silicon are chemically dissimilar substances with common physical properties. Their liquids display a temperature of maximum density, increased diffusivity on compression, and they form tetrahedral crystals and tetrahedral amorphous phases. The common feature to water, silicon, and carbon is the formation of tetrahedrally coordinated units. We exploit these similarities to develop a coarse-grained model of water (mW) that is essentially an atom with tetrahedrality intermediate between… CONTINUE READING

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