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June 1, 1994Acta Crystallographica Section B Structural Science

Structural, vibrational and electronic properties of a crystalline hydrate from ab initio periodic Hartree–Fock calculations

Lars Ojamäe Kersti Hermansson C. Pisani M. Causà C. Roetti

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Abstract

The hydrate crystal lithium hydroxide monohydrate LiOH.H2O has been studied by ab initio periodic Hartree-Fock calculations. The influence of the crystalline environment on the local molecular prop ...

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Cite This Study

Ojamäe et al. (1994) studied this question.

synapsesocial.com/papers/6a1fdee7c70a2547a604953c https://doi.org/10.1107/s0108768193010390

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