BSSE
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- 基组重叠误差（basis set superposition error）
双语例句
- 1. All the binding energies have been corrected by the basis set superposition error (BSSE) and zero point energies (ZPE).
- 在各基组下均进行基组叠加误差(BSSE)和零点能(ZPE)校正求得结合能。
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- 2. For dissociation energy, zero point vibration energy (ZPVE) is calculated and basis set superposition error (BSSE) is corrected by counterpoise method.
- 解离能计算进行了零点振动能(ZPVE)校正，并运用完全均衡校正法对基函数重叠误差(BSSE)进行校正。
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- 3. The basis set superposition error (BSSE) and zero point energies (ZPE) corrections are absolutely necessary for the interaction energies of the clusters.
- 对所有多聚体分子间相互作用能的计算，进行基组叠加误差（BSSE）和零点能（ZPE）校正都是必要的。
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- 4. Researchers in a group led by Renato Paro, professor for Biosystems at the Department of Biosystems Science and Engineering (D-BSSE), crossed the flies for six generations.
- 生物系统科学与工程系生物系统学教授Renato Paro带领的研究小组中的成员，对上述果蝇杂交了六代。
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- 5. 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；
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- 6. The complexes were considered as supermolecules and calculated with DFT method at B3LYP/6-311G(d, p) level, and the basis set superposition error (BSSE) was corrected by the counterpoise method.
- 把复合物看作一个超分子，在B3LYP/6- 3 11G（d ，p）的水平上进行密度泛函法计算，并运用完全均衡校正法进行基组超位误差校正（BSSE） 。
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- 7. The complexes were considered as supermolecules and calculated with DFT method at B3LYP/6-311G(d, p) level, and the basis set superposition error (BSSE) was corrected by the counterpoise method.
- 把复合物看作一个超分子，在B3LYP/6- 3 11G（d ，p）的水平上进行密度泛函法计算，并运用完全均衡校正法进行基组超位误差校正（BSSE） 。
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