Coupled hydroxyl and ether functionalisation in EAN derivatives: the effect of hydrogen bond donor/acceptor groups on the structural heterogeneity studied with X-ray diffractions and fixed charge/polarizable simulations-Reference-Cited by-同舟云学术

Coupled hydroxyl and ether functionalisation in EAN derivatives: the effect of hydrogen bond donor/acceptor groups on the structural heterogeneity studied with X-ray diffractions and fixed charge/polarizable simulations

Published:2019 Issue:21 Volume:21 Page:11464-11475
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ramondo Fabio¹²³⁴^ORCID,Gontrani Lorenzo⁵⁶⁷⁴⁸^ORCID,Campetella Marco⁸⁹¹⁰⁴¹¹^ORCID

Affiliation:

1. Department of Physical and Chemical Sciences

2. University of L’Aquila

3. L’Aquila

4. Italy

5. Department of Chemistry “Giacomo Ciamician”

6. University of Bologna

7. I-40126 Bologna

8. Department of Chemistry

9. University “La Sapienza”

10. Roma

11. Chimie ParisTech

Abstract

A combination of X-ray diffraction with molecular simulations is used to describe complex ionic liquids, and the pros and cons of different ε and polarisable force fields are discussed.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP00571D

Reference73 articles.

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5. DESIGNER SOLVENTS

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