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Assessment of the “6-31+G** + LANL2DZ” Mixed Basis Set Coupled with Density Functional Theory Methods and the Effective Core Potential: Prediction of Heats of Formation and Ionization Potentials for First-Row-Transition-Metal Complexes

Assessment of the “6-31+G** + LANL2DZ” Mixed Basis Set Coupled with Density Functional Theory Methods and the Effective Core Potential: Prediction of Heats of Formation and Ionization Potentials for First-Row-Transition-Metal Complexes

Yang, Yue; Weaver, Michael N.; Merz, Kenneth M.

期刊名称The Journal of Physical Chemistry A
作者Yang, Yue; Weaver, Michael N.; Merz, Kenneth M.
卷第113卷
期第36期
印刷ISSN1089-5639
电子ISSN1520-5215
文件大小231.18KB
发表时间2009-09-10
DOI10.1021/jp807643p
页码9843-9851

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