• The intermolecular interaction energy is calculated with MP2 electron correlation correction, basis set superposition error (BSSE) correction and zero point energy (ZPE) correction.

    MP2电子相关基组叠加误差BSSE以及零点能(ZPE校正,求得分子相互作用能;

    youdao

  • The intermolecular interaction energy is calculated with MP2 electron correlation correction, basis set superposition error (BSSE) correction and zero point energy (ZPE) correction.

    MP2电子相关基组叠加误差BSSE以及零点能(ZPE校正,求得分子相互作用能;

    youdao

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