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Dye chemistry with time-dependent density functional theory

Published:2014 Issue:28 Volume:16 Page:14334-14356
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Laurent Adèle D.¹²³⁴⁵,Adamo Carlo⁶⁷⁸⁹¹⁰,Jacquemin Denis¹²³⁴⁵

Affiliation:

1. Chimie Et Interdisciplinarité

2. Synthèse, Analyse, Modélisation (CEISAM)

3. UMR CNRS no. 6230

4. BP 92208

5. Université de Nantes, 2

6. Ecole Nationale Supérieure de Chimie de Paris

7. Laboratoire LECIME

8. UMR CNRS-ENSCP no. 7575, 11

9. F-75321 Paris Cedex 05, France

10. Institut Universitaire de France

Abstract

We present a representative panel of TD-DFT applications in the colour chemistry field.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C3CP55336A

Reference541 articles.

1. LXXIV.—On mauveine and allied colouring matters

2. Darstellung von Indigblau aus Orthonitrobenzaldehyd

3. Theoretische und spektroskopische Untersuchungen an Indigofarbstoffen, III. Der Einfluß zwischenmolekularer Wasserstoffbrücken auf die Spektren von Indigo im festen Zustand

4. Theoretische und spektroskopische Untersuchungen an Indigofarbstoffen, XI. Verbindungen mit dem Thioindigogrundchromophorsystem: Darstellung und Eigenschaften von 3.4‐Bis‐alkylmercaptohexen‐(3)‐dionen‐(2.5)

5. Theoretische und spektroskopische Untersuchungen an Indigofarbstoffen, XX. Thioindigo‐Farbstoffe mit unterbrochener peripherer Konjugation

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