Search for structures, potential energy surfaces, and stabilities of planar BnP(n = 1 ∼ 7).

Abstract

We have systematically explored and investigated the geometrical structures, stability, growth pattern, bonding character, and potential energy surface (PES) of the possible isomers of each cluster for planar B(n)P (n = 1 ∼ 7) at the CCSD(T)/6-311+;G(d)//B3LYP/6-311+G(d) level. A large number of planar structures for the possible isomers of B(n)P (n = 1 ∼ 7… (More)
DOI: 10.1007/s00894-010-0801-x

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Cite this paper

@article{Shi2011SearchFS, title={Search for structures, potential energy surfaces, and stabilities of planar BnP(n = 1 ∼ 7).}, author={Rongwei Shi and Jingling Shao and Cheng Wang and Xiaolei Zhu and Xiaohua Lu}, journal={Journal of molecular modeling}, year={2011}, volume={17 5}, pages={1007-16} }