Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron Excitation Energy: Molecular Properties from Density Functional Theory Orbital Energies
Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron Excitation Energy: Molecular Properties from Density Functional Theory Orbital Energies
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DOI：
10.1021/jp0225774
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发表时间：
2003-04
影响因子：
2.9
通讯作者：
C. Zhan;J. Nichols;D. Dixon
中科院分区：
文献类型：
--
作者：
C. Zhan;J. Nichols;D. Dixon
Representative atomic and molecular systems, including various inorganic and organic molecules with covalent and ionic bonds, have been studied by using density functional theory. The calculations ...
