(Q57771324)

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Excitation spectra of nitro-diphenylaniline: Accurate time-dependent density functional theory predictions for charge-transfer dyes

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title

Excitation spectra of nitro-diphenylaniline: Accurate time-dependent density functional theory predictions for charge-transfer dyes (English)

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main subject

density functional theory

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based on heuristic

inferred from title

time-dependent density functional theory

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Denis Jacquemin

1

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author name string

Michaël Bouhy

series ordinal

2

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Eric A. Perpète

series ordinal

3

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language of work or name

English

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publication date

28 May 2006

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published in

Journal of Chemical Physics

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volume

124

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issue

20

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page(s)

204321

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cites work

Density-Functional Theory for Time-Dependent Systems

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21 January 2018

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

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21 January 2018

Two-photon absorption in three-dimensional chromophores based on [2.2]-paracyclophane.

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21 January 2018

A sequential molecular mechanics/quantum mechanics study of the electronic spectra of amides.

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21 January 2018

Photoinduced intramolecular electron transfer in ruthenium and osmium polyads: insights from theory

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21 January 2018

Absorption and fluorescence spectra of uracil in the gas phase and in aqueous solution: a TD-DFT quantum mechanical study

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21 January 2018

Photoinduced intramolecular charge transfer in 4-(dimethyl)aminobenzonitrile--a theoretical perspective

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21 January 2018

Substitution effects on the visible spectra of 1,4-diNHPh-9,10-anthraquinones

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21 January 2018

Cations M2(O2CtBu)4+, where M = Mo and W, and MoW(O2CtBu)4+. Theoretical, spectroscopic, and structural investigations

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A TD-DFT study of the absorption spectra of fast dye salts

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21 January 2018

The effects of solvation in the theoretical spectra of cationic dyes

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Substitution and chemical environment effects on the absorption spectrum of indigo

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21 January 2018

Thioindigo dyes: highly accurate visible spectra with TD-DFT.

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Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexes

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Quantum mechanical continuum solvation models.

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Time-dependent density functional theory for molecules in liquid solutions

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

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The n→π* transition in nitroso compounds: A TD-DFT study

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21 January 2018

Toward a Theoretical Quantitative Estimation of the λmaxof Anthraquinones-Based Dyes

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21 January 2018

Identifiers

DOI

10.1063/1.2202735

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PubMed publication ID

16774346

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(Q57771324)

Excitation spectra of nitro-diphenylaniline: Accurate time-dependent density functional theory predictions for charge-transfer dyes

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