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Effect of repulsive interaction on the structural and dynamic features of liquid water. The role of molecular polarizability

✍ Scribed by M. G. Kiselev; Yu. P. Pukhovskii; D. V. Ivlev; Yu. M. Kessler

Publisher
SP MAIK Nauka/Interperiodica
Year
1999
Tongue
English
Weight
396 KB
Volume
40
Category
Article
ISSN
0022-4766

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A series of molecular dynamics simulations of liquid water has been carried out using different electrostatic models. The models tested include the distributed point charges and dipoles and the corresponding polarizabilities obtained from Stone's partitioning (DMA and DPA) and those obtained from an