Density functional theoretical study of the electronic structure and vibrational spectra of a polynuclear [Mg-2(MeOH)(4)Mo8O22(OMe)(6)](2-) complex

Savinykh TA; Shestakov AF; Bardina NV; Bazhenova TA; Shulga YM

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Density functional theoretical study of the electronic structure and vibrational spectra of a polynuclear [Mg-2(MeOH)(4)Mo8O22(OMe)(6)](2-) complex

机译：多核[Mg-2（MeOH）（4）Mo8O22（OMe）（6）]（2-）配合物的电子结构和振动光谱的密度泛函理论研究

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The molecular and electronic structures and the vibrational spectra of the mixed-valence Mg-Mo cluster [Mg-2(MeOH)(4)(-Mo4Mo4O22)-Mo-VI-O-V(OMe)(6)](2-) were calculated to locate two pairs of Mo-V centers with strong Mo-Mo bonding.

机译：混合价Mg-Mo团簇[Mg-2（MeOH）（4）（-Mo4Mo4O22）-Mo-VI-OV（OMe）（6）]（2-）的分子和电子结构以及振动光谱计算找到两对具有强大Mo-Mo结合力的Mo-V中心。

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《Mendeleev Communications 》 |2008年第3期| 共3页
作者
Savinykh TA; Shestakov AF; Bardina NV; Bazhenova TA; Shulga YM;
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正文语种 eng
中图分类化学 ;
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1. Density functional theoretical study of the electronic structure and vibrational spectra of a polynuclear [Mg-2(MeOH)(4)Mo8O22(OMe)(6)](2-) complex [J] . Savinykh TA, Shestakov AF, Bardina NV, Mendeleev Communications . 2008 ,第3期

机译：多核[Mg-2（MeOH）（4）Mo8O22（OMe）（6）]（2-）配合物的电子结构和振动光谱的密度泛函理论研究
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Density functional theoretical study of the electronic structure and vibrational spectra of a polynuclear [Mg-2(MeOH)(4)Mo8O22(OMe)(6)](2-) complex

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