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Quantum chemical study on excited states and charge transfer of oxazolo[4,5-b]-pyridine derivatives

✍ Scribed by RongXing He, YanJie Yuan, Wei Shen, Ming Li, Li Yao

Book ID
118814139
Publisher
SP Science China Press
Year
2012
Tongue
English
Weight
947 KB
Volume
55
Category
Article
ISSN
1674-7291

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## Abstract In this work, the time‐dependent density functional theory (TDDFT) method was carried out to investigate the hydrogen‐bonded intramolecular charge‐transfer excited state of 2‐(4′‐__N__,__N__‐dimethylaminophenyl)imidazo[4,5‐__b__]pyridine (DMAPIP) in methanol (MeOH) solvent. All the geom