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Aleksandr A Chamkin1, Elena S Chamkina1

  • 1A.N.Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences Russia, Vavilova St. 28, bld. 1, INEOS, 119334, Moscow, Russian Federation. chalex@ineos.ac.ru.

概括

对原子化能量进行准确的核心价值校正需要使用较低级别的合集群方法进行更大的基础集,而不是相反. 这提高了先进量子化学计算的计算效率和准确性.

相关概念视频

The Energies of Atomic Orbitals03:21

The Energies of Atomic Orbitals

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Valence Bond Theory and Hybridized Orbitals

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sp3d and sp3d 2 Hybridization
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The elements in groups of the periodic table exhibit similar chemical behavior. This similarity occurs because the members of a group have the same number and distribution of electrons in their valence shells.
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