✦ LIBER ✦

Time-Dependent Density Functional Theory Studies of the Photoswitching of the Two-Photon Absorption Spectra in Stilbene, Metacyclophenadiene, and Diarylethene Chromophores

✍ Scribed by Clark, Aurora E.

Book ID: 127178553
Publisher: American Chemical Society
Year: 2006
Tongue: English
Weight: 312 KB
Volume: 110
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp056904u

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Time-dependent density functional theory

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

✍ Jacquemin, Denis; Perpète, Eric A.; Scalmani, Giovanni; Frisch, Michael J.; Ass 📂 Article 📅 2006 🏛 American Institute of Physics 🌐 English ⚖ 416 KB

Tuned CAM-B3LYP functional in the time-d

Tuned CAM-B3LYP functional in the time-dependent density functional theory scheme for excitation energies and properties of diarylethene derivatives

✍ Katsuki Okuno; Yasuteru Shigeta; Ryohei Kishi; Hiroshi Miyasaka; Masayoshi Nakan 📂 Article 📅 2012 🏛 Elsevier Science 🌐 English ⚖ 597 KB

Vibrational analysis of trans-stilbene i

Vibrational analysis of trans-stilbene in the excited singlet state by time-dependent density functional theory: calculations of the Raman, infrared, and fluorescence excitation spectra

✍ Kyosuke Tsumura; Kazuhiko Furuya; Akira Sakamoto; Mitsuo Tasumi 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 190 KB 👁 1 views

Prediction of Vibronic Coupling and Abso

Prediction of Vibronic Coupling and Absorption Spectra of Dimers from Time-Dependent Density Functional Theory: The Case of a Stacked Streptocyanine

✍ Guthmuller, Julien; Zutterman, Freddy; Champagne, Benoît 📂 Article 📅 2008 🏛 American Chemical Society 🌐 English ⚖ 614 KB

ChemInform Abstract: Electronic Absorpti

ChemInform Abstract: Electronic Absorption Spectra of Closed and Open-Shell Tetrathiafulvalenes: The First Time-Dependent Density-Functional Study.

✍ Raquel Andreu; Javier Garin; Jesus Orduna 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 24 KB 👁 2 views

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