Acidity Constant (pK a ) Calculation of Large Solvated Dye Molecules: Evaluation of Two Advanced Molecular Dynamics Methods-Reference-Cited by-同舟云学术

Acidity Constant (pK a ) Calculation of Large Solvated Dye Molecules: Evaluation of Two Advanced Molecular Dynamics Methods

Published:2016-09-30 Issue:21 Volume:17 Page:3447-3459
ISSN:1439-4235
Container-title:ChemPhysChem
language:en
Short-container-title:ChemPhysChem

Author:

De Meyer Thierry¹²,Ensing Bernd³,Rogge Sven M. J.¹^ORCID,De Clerck Karen²,Meijer Evert Jan³,Van Speybroeck Veronique¹

Affiliation:

1. Center for Molecular Modeling; Ghent University; Technologiepark 903 9052 Zwijnaarde Belgium

2. Department of Textiles; Ghent University; Technologiepark 907 9052 Zwijnaarde Belgium

3. Amsterdam Center for Multiscale Modeling and Van't Hoff Institute for Molecular Sciences; University of Amsterdam; Science Park 904 1098XH Amsterdam The Netherlands

Funder

Fund for Scientific Research Flanders (FWO)

Research Board of Ghent University

European Union's Horizon 2020 research and innovation programme

European Research Council

Belgian Science Policy Office

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Atomic and Molecular Physics, and Optics

Reference96 articles.

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3. The Use of pH-indicator Dyes for pH-sensitive Textile Materials

4. The development of polyamide 6.6 nanofibres with a pH-sensitive function by electrospinning

5. Textile materials with a pH‐sensitive function

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