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    TH_2N…HF中T→He~+β衰变对氢键影响的量子化学从头计算研究

    THE EFFECTS OF T→He~+ BETA DECAY ON THE HYDROGEN BOND IN TH_2N…HF——AN AB INITIO MO CALCULATION STUDY

      摘要
    • 摘要: 用量子化学Ab Initio LCAO-MO-SCF研究了氚化氨分子与氟化氢二元体系经β衰变后对N…H-F氢键的影响。讨论了分子中的电荷分布及其转移方向。

       

      Abstract: The effects of β-decay of tritium on the hydrogen bond N…H-F in tritiated ammonia-hydrogen fluoride system are studied by Ab Initio MO calculation. The charge distribution and the direction of charge transfer in the hydrogen bond adduct are discussed.

       

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