## Abstract The time‐dependent density functional theory (TDDFT) method was carried out to investigate the hydrogen‐bonded intramolecular charge‐transfer (ICT) excited state of 4‐dimethylaminobenzonitrile (DMABN) in methanol (MeOH) solvent. We demonstrated that the intermolecular hydrogen bond C≡N·
Time-dependent density functional theory (TD-DFT) study on the excited-state intramolecular proton transfer (ESIPT) in 2-hydroxybenzoyl compounds: Significance of the intramolecular hydrogen bonding
✍ Scribed by Lan, Xin; Yang, Dapeng; Sui, Xiao; Wang, Dandan
- Book ID
- 118191400
- Publisher
- Elsevier Science
- Year
- 2013
- Tongue
- English
- Weight
- 417 KB
- Volume
- 102
- Category
- Article
- ISSN
- 1386-1425
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