A theoretical study on structures, stabilities, and potential energy surfaces of planar BnP2 (n = 1–7)
作者： Chunyan He , Jingling Shao , Rongwei Shi , Xiaolei Zhu
DOI: 10.1016/J.COMPTC.2010.12.009
关键词: Chemistry 、 Nucleus 、 Transition state 、 Potential energy 、 Computational chemistry 、 Delocalized electron 、 Aromaticity 、 Molecular orbital 、 Planar 、 Crystallography 、 Density functional theory
摘要: The geometries, stabilities, and potential energy surfaces of possible isomers of BnP2 (n= 1–7) are explored and investigated at the CCSD (T)/6-311+ G (d)//B3LYP/6-311+ G (d) level …
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