引用本文:
Ke Chen WU, Jun LI. Jahn-Teller Effect on Binary Indium Bromide ─An Ab Initio Study[J]. Chinese Chemical Letters,
1999, 10(11): 941-944.
Citation: Ke Chen WU, Jun LI. Jahn-Teller Effect on Binary Indium Bromide ─An Ab Initio Study[J]. Chinese Chemical Letters, 1999, 10(11): 941-944.
Citation: Ke Chen WU, Jun LI. Jahn-Teller Effect on Binary Indium Bromide ─An Ab Initio Study[J]. Chinese Chemical Letters, 1999, 10(11): 941-944.
Jahn-Teller Effect on Binary Indium Bromide ─An Ab Initio Study
摘要:
In order to elucidate the unusual chemical sensitivity of binary indium bromides.the potential energy surface of the model complex InBr87- has been-studied by means of ab initio allelectron calculation with larger basis sets.The configuration is on a local maximum of the energy surface and crystal potential around In+ is soft, allowing small spontaneous distortions as a result of a second-order Jahn-Teller instability.
English
Jahn-Teller Effect on Binary Indium Bromide ─An Ab Initio Study
Abstract:
In order to elucidate the unusual chemical sensitivity of binary indium bromides.the potential energy surface of the model complex InBr87- has been-studied by means of ab initio allelectron calculation with larger basis sets.The configuration is on a local maximum of the energy surface and crystal potential around In+ is soft, allowing small spontaneous distortions as a result of a second-order Jahn-Teller instability.
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