Noble gas matrices may change the electronic structure of trapped molecules: The UO_2(Ng)_4 [Ng = Ne, Ar] case

Infante I.; Andrews L.; Wang X.; Gagliardi L.

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Noble gas matrices may change the electronic structure of trapped molecules: The UO_2(Ng)_4 [Ng = Ne, Ar] case

机译：稀有气体基质可能会改变捕获分子的电子结构：UO_2（Ng）_4 [Ng = Ne，Ar]情况

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摘要

Ground state reversal from a neon to an argon matrix is confirmed by CASSCF/CASPT2 calculations (see picture) and new stepwise laser-ablated experiments.

机译：CASSCF / CASPT2计算（参见图片）和新的逐步激光烧蚀实验证实了从氖到氩的基态反转。

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《Chemistry: A European journal》 |2010年第43期|共4页
作者
Infante I.; Andrews L.; Wang X.; Gagliardi L.;
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正文语种 eng
中图分类应用化学;
关键词
density functional calculations; laser spectroscopy; matrix isolation; noble gases; uranium;

机译：密度泛函计算激光光谱基质分离稀有气体铀;

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3. Noble gas matrices may change the electronic structure of trapped molecules: The UO_2(Ng)_4 [Ng = Ne, Ar] case [J] . Infante I., Andrews L., Wang X., Chemistry: A European journal . 2010,第43期

机译：稀有气体基质可能会改变捕获分子的电子结构：UO_2（Ng）_4 [Ng = Ne，Ar]情况
4. The electronic spectrum of CUONg _4 (Ng = Ne, Ar, Kr, Xe): New insights in the interaction of the CUO molecule with noble gas matrices [J] . Tecmer P., Van Lingen H., Gomes A.S.P., The Journal of Chemical Physics . 2012,第8期

机译：CUONg _4的电子光谱（Ng = Ne，Ar，Kr，Xe）：CUO分子与稀有气体基质相互作用的新见解
5. Theoretical Study on the Noble Gas Exchange Reactions of Ng plus HNBNg '(+) - Ng ' + HNBNg(+) (Ng, Ng ' = He, Ne, Ar, Kr, and Xe) [J] . Tsai Cheng-Cheng, Liu Po-Chun, Hu Wei-Ping The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2016,第8期

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机译：CUONg（4）的电子光谱（Ng = Ne，Ar，Kr，Xe）：CUO分子与稀有气体基质相互作用的新见解

Noble gas matrices may change the electronic structure of trapped molecules: The UO_2(Ng)_4 [Ng = Ne, Ar] case

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