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Assessment of Density Functional Theory Methods for the Computation of Heats of Formation and Ionization Potentials of Systems Containing Third Row Transition Metals

机译：含有第三行过渡金属的系统的形成和电离电位计算密度泛函理论方法的评估

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1. Assessment of density functional theory methods for the computation of heats of formation and ionization potentials of systems containing third row transition metals [J] . Riley KE, Merz KM The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2007,第27期

机译：评估包含第三行过渡金属的系统的形成热和电离势的密度泛函理论方法
2. Assessment of density functional theory methods for the computation of heats of formation and ionization potentials of systems containing third row transition metals [J] . Riley KE, Merz KM The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2007,第27期

机译：评估包含第三行过渡金属的系统的形成热和电离势的密度泛函理论方法
3. Assessment of the "6-31+G~(**) + LANL2DZ" Mixed Basis Set Coupled with DensityFunctional Theory Methods and the Effective Core Potential: Prediction of Heats ofFormation and Ionization Potentials for First-Row-Transition-Metal Complexes [J] . Yue Yang, Michael N. Weaver, Kenneth M. Merz Jr The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2009,第36期

机译：结合密度泛函理论方法和有效核电势的“ 6-31 + G〜（**）+ LANL2DZ”混合基集的评估：初热-过渡-金属配合物的形成热和电离势的预测
4. Hydration Energies of First-Row Transition Metal Dications Determined by Collision Induced Dissociation and Density Functional Theory [C] . Rebecca C. Thomas, Theresa E. Hofstetter, P. B. Armentrout American Society for Mass Spectrometry Conference on Mass Spectrometry and Allied Topics . 2013

机译：通过碰撞诱导的解离和密度泛函理论确定的一排过渡金属DICTICS的水合能量
5. A gas -phase study of the structure, reactivity and thermochemistry of transition metal -ligand systems by Fourier transform ion cyclotron resonance mass spectrometry and density functional theory. [D] . Chen, Huiping. 1999

机译：通过傅里叶变换离子回旋共振质谱和密度泛函理论对过渡金属-配体体系的结构，反应性和热化学进行气相研究。
6. Assessment of the ‘6–31+G** + LANL2DZ Mixed Basis Set Coupled with Density Functional Theory Methods and Effective Core Potential: Prediction of Heats of Formation and Ionization Potentials for First Row Transition Metal Complexes [O] . Yue Yang, Michael N. Weaver, Kenneth M. Merz Jr -1

机译：在6-31 + G ** + LaNL2DZ混合基础加上密度泛函理论方法及有效核势集的评估：对第一行过渡金属配合物的生成热势和电离势预测
7. Assessment of Density Functional Theory Methods for the Computation of Heats of Formation and Ionization Potentials of Systems Containing Third Row Transition Metals [O] . -1

机译：含有第三行过渡金属的系统的形成和电离电位计算密度泛函理论方法的评估

Assessment of Density Functional Theory Methods for the Computation of Heats of Formation and Ionization Potentials of Systems Containing Third Row Transition Metals

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