Predicting Spectral Properties of Polarity Sensitive Dyes with QM/MM Simulation

Computational Modeling of Spectral Properties of Nickel Dithiolene Dyes

Nickel dithiolene dyes, noted for their intense long-wavelength electronic transitions, have been notoriously dificult molecules to model. This study has investigated the use of timedependent density functional theory (TDDFT) to model these dyes. The absorption spectra of an extensive set of near-infrared nickel dithiolene dyes have been evaluated for the first time using TDDFT. Bulk solvent ef...

Solvent Effects on the Spectral Properties of the Methine Dyes

Recently, methine dyes have attracted interest for their possible application in display devices [1, 2 ] . A liquid crystal display based on the ability of "guest"' pleochroic dyes to align parallel to the "host" liquid crystal was first described by Heilmeier and Zanoni [3 ] . Since then the basic properties of "guest-host" type liquid crystal display devices and the effects of various paramet...

Improved Spectral Efficiency by Predicting Channel Properties

A packet switched wireless cellular system with wide area coverage, high throughput and high spectral efficiency is proposed. Smart antennas at both base stations and mobiles improve the antenna gain and improve the signal to interference ratio. The small-scale fading is predicted and a slotted OFDM radio interface is used, in which time-frequency bins are allocated adaptively to different mobi...

Influence of a Crown Ether on the Spectral Properties of Triarylmethane Dyes in Aqueous and Micellar Environments

This study demonstrates the spectral data for two triarylmethane dyes, malachite green (MG) and crystal violet (CV) at room temperature. Effects of micellar environment, and crown ether addition on the spectral behaviour of the dyes were studied using absorption spectroscopic method. The dye-anionic surfactant interactions in micellar media were investigated. The chosen surfactants with differe...

Predicting Seizures Using Spectral Clustering and Cost-Sensitive SVM’s