【摘 要】
：
The cooperativity between beryllium bonds [1] and halogen bonds [2] was investigated by comparing the structures,binding energies and bonding characteristics of ternary complexes HFBe:FCl:N-base and R
【机 构】
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Departamento de Química,Módulo 13,Universidad Autónoma de Madrid,Campus de Excelencia UAM-CSIC,Canto
【出 处】
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The 15th ICQC International Congress of Quantum Chemistry(第1
论文部分内容阅读
The cooperativity between beryllium bonds [1] and halogen bonds [2] was investigated by comparing the structures,binding energies and bonding characteristics of ternary complexes HFBe:FCl:N-base and R2Be:FCl:N-base for R = H,F,Cl;N-base = NH3,NHCH2,NCH with those of binary complexes HFBe:FCl,R2Be:FCl,and FCl:N-base,by means of ab initio MP2/aug-cc-pVTZ.
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