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Density Functional Studies on the Effects of Hydrogen Bonding on the Formation of a Charge-Transfer Complex between p - Benzoquinone and 2,6-Dimethoxyphenol

✍ Scribed by Bangal, Prakriti Ranjan


Book ID
125901330
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
192 KB
Volume
111
Category
Article
ISSN
1089-5639

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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