Self-consistent continuum solvation for optical absorption of complex molecular systems in solution
Publications associées (38)
Graph Chatbot
Chattez avec Graph Search
Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.
AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.
In industry, spectroscopy is used to monitor batch chemical reactions and to maximize production of a material for a minimum cost. However, there are many challenges involved in using spectroscopic methods to characterize reaction systems that undergo crys ...
The femtosecond-resolved evolution of the emission spectrum of the important conjugated polymer poly(3-hexylthiophene) (P3HT) is presented. Detailed fluorescence up-conversion spectroscopy was performed on P3HT solid-state films and on P3HT in chlorobenzen ...
Ultra-high-resolution spectroscopic studies have been performed to elucidate the conformational landscape of the succinamide-based thread 1 that is frequently employed in mechanically interlocked molecular assemblies. We show how dissolving single molecule ...
The absorption of light by a gas molecule has been measured comparatively using light propagating in normal conditions and in a slow light regime. The experiment is designed to make the 2 measurements possible without modifying the interaction conditions, ...
We present a detailed study of optical absorption spectra of finite-size structures, using a method based on time-dependent density-functional theory (TDDFT), which involves a self-consistent field for the propagation of the Kohn-Sham wavefunctions in real ...
We report on the first successful high-resolution spectroscopic studies on isolated para-coumaric acid, the chromophore of the photoactive yellow protein which has become a model system for studying biological light induced signal transduction. Employing v ...
The optical properties of small noble metal clusters have been studied by absorption and fluorescence for sizes between 1 and 10 atoms. The experimental technique consists in depositing size-selected clusters in a neon matrix and analyzing with a spectrome ...
We investigated the cathodic and anodic limits of six room-temperature ionic liquids (ILs) formed from a combination of two common cations, 1-butyl-3-methylimidazolium (BMIM) and N,N-propylmethylpyrrolidinium (P13), and three common anions, PF6, BF4, and b ...
The first solution-processed depleted bulk heterojunction colloidal quantum dot solar cells are presented. The architecture allows high absorption with full depletion, thereby breaking the photon absorption/carrier extraction compromise inherent in planar ...
Quantum chemical methods are important tools for the predictions of electronic structure and energetics of molecules providing the interpretation of spectroscopic experiments and reaction mechanisms. In this thesis, density functional theory (DFT) and wave ...