๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Density Functional Theory Study of Intramolecular Hydrogen Bonding and Proton Transfer in o -Hydroxyaryl Ketimines

โœ Scribed by Filarowski, Aleksander; Koll, Aleksander; Hansen, Poul Erik; Kluba, Malgorzata


Book ID
120567678
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
207 KB
Volume
112
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Time-dependent density functional theory
โœ Guang-Jiu Zhao; Ke-Li Han ๐Ÿ“‚ Article ๐Ÿ“… 2008 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 380 KB

## Abstract The timeโ€dependent density functional theory (TDDFT) method was carried out to investigate the hydrogenโ€bonded intramolecular chargeโ€transfer (ICT) excited state of 4โ€dimethylaminobenzonitrile (DMABN) in methanol (MeOH) solvent. We demonstrated that the intermolecular hydrogen bond Cโ‰กNยท