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Spin State Energetics in First-Row Transition Metal Complexes: Contribution of (3s3p) Correlation and Its Description by Second-Order Perturbation Theory

机译：第一行过渡金属配合物中的旋转状态能量学：二阶扰动理论的（3S3P）相关性及其描述的贡献

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Kristine Pierloot; Quan Manh Phung; Alex Domingo;
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1. Spin State Energetics in First-Row Transition Metal Complexes: Contribution of (3s3p) Correlation and Its Description by Second-Order Perturbation Theory [J] . Pierloot Kristine, Quan Manh Phung, Domingo Alex Journal of chemical theory and computation: JCTC . 2017,第2期

机译：第一行过渡金属配合物中的旋转状态能量学：二阶扰动理论的（3S3P）相关性及其描述的贡献
2. Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Studies on Mononuclear First-Row Transition-Metal Systems [J] . Steven Vancoillie, Hailiang Zhao, Van Tan Tran Journal of chemical theory and computation: JCTC . 2011,第12期

机译：单核第一行过渡金属系统的多构型二阶摄动理论约束有源空间（RASPT2）研究
3. A density functional study of the spin state energetics of polypyrazolylborato complexes of first-row transition metals [J] . M. Gruden-Pavlovic, S. Stepanovic, M. Peric Physical chemistry chemical physics: PCCP . 2014,第28期

机译：第一行过渡金属聚吡唑基硼酸盐络合物自旋态能级的密度泛函研究
4. Stabilization of aqueous first-row transition metal-hydroxo clustersby coordination with 1,4,7-triazacyclononane complexes [C] . Sugiarto, Shota Kazakami, Yuya Imai 日本化学会春季年会 . 2020

机译：用1,4,7-三氮杂环烷复合物配位稳定水性第一行过渡金属 - 羟基簇区
5. Correlations between Heisenberg spin exchange and photo-induced electron/energy transfer in polynuclear transition metal complexes. [D] . Weldon, Brandon Thomas. 2001

机译：海森堡自旋交换与多核过渡金属配合物中光诱导的电子/能量转移之间的关系。
6. A DFT Study of Structural and Bonding Properties of Complexes Obtained from First-Row Transition Metal Chelation by 3-Alkyl-4-phenylacetylamino-45-dihydro-1H-124-triazol-5-one and Its Derivatives [O] . Hubert Jean Nono, Désiré Bikélé Mama, Julius Numbonui Ghogomu, 2017

机译：DFT研究3-烷基-4-苯基乙酰氨基-45-二氢-1H-124-三唑-5酮及其衍生物从第一行过渡金属螯合获得的配合物的结构和键合性质
7. Spin State Energetics in First-Row Transition Metal Complexes: Contribution of (3s3p) Correlation and Its Description by Second- Order Perturbation Theory [O] . Pierloot Kristine, Phung Quan Manh, Domingo Alex 2017

机译：第一行过渡金属配合物中的自旋态能学：（3s3p）相关性的贡献及其二阶扰动理论的描述
8. Second-Order Moller-Plesset Perturbation Theory for Systems Involving First Transition Row Metals [R] . Ricca, Alassandra, Bauschlicher, Charles W., Jr., Rosi, Marzio 1994

机译：第一过渡行金属系统的二阶moller-plesset扰动理论

Spin State Energetics in First-Row Transition Metal Complexes: Contribution of (3s3p) Correlation and Its Description by Second-Order Perturbation Theory

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