✦ LIBER ✦

Absorption Spectra of Several Metal Complexes Revisited by the Time-Dependent Density-Functional Theory-Response Theory Formalism

✍ Scribed by Boulet, P.; Chermette, H.; Daul, C.; Gilardoni, F.; Rogemond, F.; Weber, J.; Zuber, G.

Book ID: 127137818
Publisher: American Chemical Society
Year: 2001
Tongue: English
Weight: 93 KB
Volume: 105
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp003041q

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

Photo-absorption spectra of small hydrog

Photo-absorption spectra of small hydrogenated silicon clusters using the time-dependent density functional theory

✍ Juzar Thingna; R. Prasad; S. Auluck 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 549 KB

Absorption Spectra of Caffeic Acid, Caff

Absorption Spectra of Caffeic Acid, Caffeate and Their 1:1 Complex with Al(III): Density Functional Theory and Time-Dependent Density Functional Theory Investigations

✍ Cornard, Jean-Paul; Lapouge, Christine 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 351 KB

First Hyperpolarizability of a Sesquiful

First Hyperpolarizability of a Sesquifulvalene Transition Metal Complex by Time-Dependent Density-Functional Theory

✍ Hieringer, Wolfgang; Baerends, Evert Jan 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 186 KB

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

Investigation of the UV/Visible Absorpti

Investigation of the UV/Visible Absorption Spectra of Merocyanine Dyes Using Time-Dependent Density Functional Theory

✍ Guillaume, Maxime; Champagne, Benoît; Zutterman, Freddy 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 155 KB