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The solution of dynamic Point-Ring-Couple in an elastic space and its properties

✍ Scribed by Yun Tian-quan; Gu He-ning

Publisher
Springer
Year
1993
Tongue
English
Weight
352 KB
Volume
14
Category
Article
ISSN
0253-4827

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## Abstract A hybrid __ab initio__ QM/MM molecular dynamics simulation at the Hartree‐Fock level has been performed to investigate structural and dynamical parameters of the V^3+^ ion in dilute aqueous solution. A distorted octahedral structure with the average V^3+^‐O distance of 1.99 Γ… is evaluat