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An LCAO description of the dynamical symmetry in the hydrogen molecular ion

✍ Scribed by Jens Peder Dahl; Xuejun Feng

Publisher
Springer
Year
1984
Tongue
English
Weight
657 KB
Volume
66
Category
Article
ISSN
1432-2234

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The microst\_n\_mcture of lithium cation hydration shell has been studied by means of molecular dynamics simulations. The aqueous LiCI solution has been analyzed in the temperature range from -30 to 120Β°C using the SPC and ST2 water models for a set of model Lennard-Jones parameters of intermolecula