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Density functional theoretical study of the electronic structure and vibrational spectra of a polynuclear [Mg2(MeOH)4Mo8O22(OMe)6]2− complex

✍ Scribed by Tatyana A. Savinykh; Alexander F. Shestakov; Nadezhda V. Bardina; Tamara A. Bazhenova; Yurii M. Shulga


Book ID
108209682
Publisher
Royal Society of Chemistry
Year
2008
Tongue
English
Weight
370 KB
Volume
18
Category
Article
ISSN
0959-9436

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Time-dependent density functional theory
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## Abstract The geometric structures and infrared (IR) spectra in the electronically excited state of a novel doubly hydrogen‐bonded complex formed by fluorenone and alcohols, which has been observed by IR spectra in experimental study, are investigated by the time‐dependent density functional theo