𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Time-dependent density functional theory investigation of the absorption, fluorescence, and phosphorescence spectra of solvated coumarins

✍ Scribed by Jacquemin, Denis; Perpète, Eric A.; Scalmani, Giovanni; Frisch, Michael J.; Assfeld, Xavier; Ciofini, Ilaria; Adamo, Carlo

Book ID
118060233
Publisher
American Institute of Physics
Year
2006
Tongue
English
Weight
416 KB
Volume
125
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Absorption spectra of azobenzenes simula
Absorption spectra of azobenzenes simulated with time-dependent density functional theory
✍ Denis Jacquemin; Julien Preat; Eric A. Perpète; Daniel P. Vercauteren; Jean-Mari 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 253 KB

## Abstract Using time‐dependent density functional theory and the polarizable continuum model, we have simulated the absorption spectra of an extended series of azobenzene dyes. First, we have determined a theoretical level optimal for this important class of dyes, and it turned out that a C‐PCM‐C

Time-dependent density functional theory
Time-dependent density functional theory study on the absorption spectrum of Coumarin 102 and its hydrogen-bonded complexes
✍ Wenwei Zhao; Yihong Ding; Qiying Xia 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 258 KB 👁 2 views

## Abstract The effect of both solvent polarity and hydrogen bonding (HB) on the electronic transition energy of Coumarin 102 (C102) has been examined using the time‐dependent density functional theory (TDDFT). Solvent effect on both geometry and electronic transition energy is evaluated using the

A Time-Dependent Density Functional Theo
A Time-Dependent Density Functional Theory Investigation on the Origin of Red Chemiluminescence
✍ Chun-Gang Min; Ai-Min Ren; Jing-Fu Guo; Zhong-Wei Li; Lu-Yi Zou; John D. Goddard 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 555 KB

## Abstract __Is the resonance‐based anionic keto form of oxyluciferin the chemical origin of multicolor bioluminescence? Can it modulate green into red luminescence? There is as yet no definitive answer from experiment or theory. The resonance‐based anionic keto forms of oxyluciferin have been pro