Properties of Transition Metals
Valence Bond Theory
MO Theory and Covalent Bonding
Crystal Field Theory - Octahedral Complexes
Molecular Orbital Theory I
Molecular Orbital Theory II
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Emmanouil Semidalas1, Jan M L Martin1
1Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, 7610001 Reḥovot, Israel.
新的相关性一致基准集 (VnZ-F12-wis) 改善了d块元素的明确相关计算. 这些基础集提供了与标准方法相比的准确性,在金属集群研究中有可能节省计算成本.
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08:04Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
08:54Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
Published on: January 25, 2020
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