Comparison of theoretical approaches for predicting the UV/Vis spectra of anthraquinones

about

Absorption spectra of azobenzenes simulated with time-dependent density functional theory

P2860

Q57770869-18B3AD66-8F30-4418-A3D0-69CD5A929FD4

P2860

Comparison of theoretical approaches for predicting the UV/Vis spectra of anthraquinones

Item

http://www.wikidata.org/entity/Q57771234

description

im Januar 2007 veröffentlichter wissenschaftlicher Artikel

@de

wetenschappelijk artikel

@nl

наукова стаття, опублікована в січні 2007

@uk

name

Comparison of theoretical approaches for predicting the UV/Vis spectra of anthraquinones

@en

Comparison of theoretical approaches for predicting the UV/Vis spectra of anthraquinones

@nl

type

Item

label

Comparison of theoretical approaches for predicting the UV/Vis spectra of anthraquinones

@en

Comparison of theoretical approaches for predicting the UV/Vis spectra of anthraquinones

@nl

prefLabel

Comparison of theoretical approaches for predicting the UV/Vis spectra of anthraquinones

@en

Comparison of theoretical approaches for predicting the UV/Vis spectra of anthraquinones

@nl

P1476

Comparison of theoretical approaches for predicting the UV/Vis spectra of anthraquinones

@en

P2093

Eric A. Perpète

http://www.w3.org/2001/XMLSchema#string

Julien Preat

http://www.w3.org/2001/XMLSchema#string

Xavier Assfeld

http://www.w3.org/2001/XMLSchema#string

P2860

Density-functional thermochemistry. III. The role of exact exchange

Electronic excitations: density-functional versus many-body Green’s-function approaches

Electronic absorption spectra of amino substituted anthraquinones and their interpretation using the ZINDO/S and AM1 methods.

A TD-DFT study of the photochemistry of urocanic acid in biologically relevant ionic, rotameric, and protomeric forms.

New quinone sulfates from the crinoids Tropiometra afra macrodiscus and Oxycomanthus japonicus.

Theoretical investigation of substituted anthraquinone dyes.

Higher-order equation-of-motion coupled-cluster methods.

Quantum mechanical continuum solvation models.

The effects of solvation in the theoretical spectra of cationic dyes

Solvent Effects on the Electronic Spectra: An Extension of the Polarizable Continuum Model to the ZINDO Method

P304

325-331

http://www.w3.org/2001/XMLSchema#string

P31

scholarly article

P356

10.1080/00268970601140974

http://www.w3.org/2001/XMLSchema#string

P433

2-3

http://www.w3.org/2001/XMLSchema#string

P478

105

http://www.w3.org/2001/XMLSchema#string

P50

Denis Jacquemin

P577

2007-01-20T00:00:00Z

http://www.w3.org/2001/XMLSchema#dateTime

Comparison of theoretical approaches for predicting the UV/Vis spectra of anthraquinones

about

P2860

P2860

Comparison of theoretical approaches for predicting the UV/Vis spectra of anthraquinones

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577