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

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

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：xjc
【摘 要】
：
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 pla
【作 者】
：
R.W.Shi J.L.Shao C.Wang X.L.Zhu X.H.Lu 
【机 构】
：
State Key Laboratory of Materials-Oriented Chemical Engineering,College of Chemistry and Chemical En
【出 处】
：
The 15th ICQC International Congress of Quantum Chemistry(第1
【发表日期】
：
2015年5期
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论文部分内容阅读
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 BnP(n=1～7) at the CCSD(T)/6-311+G(d)//B3LYP/6-311+G(d) level.
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