The intermolecular interaction energy is calculated with MP2 electron correlation correction, basis set superposition error (BSSE) correction and zero point energy (ZPE) correction.
经MP2电子相关和基组叠加误差(BSSE)以及零点能(ZPE)校正,求得分子间相互作用能;
A probe of zero calibration, a two-point calibration function, the system error of automatic correction;
具有探头零点校准、两点校准功能, 可对系统误差进行自动修正;
A probe of zero calibration, a two-point calibration function, the system error of automatic correction;
具有探头零点校准、两点校准功能, 可对系统误差进行自动修正;
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