𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Time dependent density functional theory study of charge-transfer and intramolecular electronic excitations in acetone–water systems

✍ Scribed by Bernasconi, Leonardo; Sprik, Michiel; Hutter, Jürg


Book ID
111967921
Publisher
American Institute of Physics
Year
2003
Tongue
English
Weight
760 KB
Volume
119
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Time-dependent density functional theory
✍ Guang-Jiu Zhao; Ke-Li Han 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 380 KB

## 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
✍ Shu-Hui Yin; Yufang Liu; Wei Zhang; Ming-Xing Guo; Peng Song 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 296 KB 👁 1 views

## 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