✦ LIBER ✦

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

✍ Scribed by Guthmuller, Julien; Zutterman, Freddy; Champagne, Benoît

Book ID: 127037883
Publisher: American Chemical Society
Year: 2008
Tongue: English
Weight: 614 KB
Volume: 4
Category: Article
ISSN: 1549-9618
DOI: 10.1021/ct8003047

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Time-dependent density functional theory

Time-dependent density functional theory determination of the absorption spectra of naphthoquinones

✍ Denis Jacquemin; Julien Preat; Valérie Wathelet; Eric A. Perpète 📂 Article 📅 2006 🏛 Elsevier Science 🌐 English ⚖ 218 KB

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 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

Dynamic polarizabilities and excitation

Dynamic polarizabilities and excitation spectra from a molecular implementation of time-dependent density-functional response theory: N2 as a case study

✍ Jamorski, Christine; Casida, Mark E.; Salahub, Dennis R. 📂 Article 📅 1996 🏛 American Institute of Physics 🌐 English ⚖ 534 KB

Time-Dependent Density Functional Theory

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

✍ Clark, Aurora E. 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 312 KB

VIS/NIR Absorption Spectra of Positively

VIS/NIR Absorption Spectra of Positively Charged Oligo(phenylenevinylene)s and Comparison with Time-Dependent Density Functional Theory Calculations

✍ Fratiloiu, Silvia; Candeias, Luis P.; Grozema, Ferdinand C.; Wildeman, Jurjen; S 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 197 KB