Free-energy patterns in inclusion complexes: the relevance of non-included moieties in the stability constants-Reference-Cited by-同舟云学术

Free-energy patterns in inclusion complexes: the relevance of non-included moieties in the stability constants

Published:2017 Issue:7 Volume:19 Page:5209-5221
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Cova Tânia F. G. G.¹²³⁴⁵,Nunes Sandra C. C.¹²³⁴⁵,Pais Alberto A. C. C.¹²³⁴⁵^ORCID

Affiliation:

1. Coimbra Chemistry Centre

2. Department of Chemistry

3. University of Coimbra

4. 3004-535 Coimbra

5. Portugal

Abstract

A MD/PMF-based procedure is designed for quantification of the interaction and respective components, guiding complex formation in water between β-CD and several naphthalene derivatives, highlighting the relevance of substituents.

Funder

Fundação para a Ciência e a Tecnologia

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C6CP08081B

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