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Exploration of structure, potential energy surface, and stability of planar C3B3

✍ Scribed by Jingling Shao; Rongwei Shi; Cheng Wang; Xiaolei Zhu; Xiaohua Lu

Book ID
106240182
Publisher
Springer-Verlag
Year
2009
Tongue
English
Weight
735 KB
Volume
16
Category
Article
ISSN
1610-2940

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✍ J.M.L. Martin; J.P. FranΓ§ois; R. Gijbels πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 716 KB

The potential energy surface of B4 has been studied ab initio using extended basis sets and coupled-cluster methods. The ground state ('A,,) is a singlet square that undergoes pseudo-Jahn-Teller distortion to a rhombic structure ('As), but the energy gain is so small that the effective structure wil