How the Choice of Force-Field Affects the Stability and Self-Assembly Process of Supramolecular CTA Fibers-Reference-Cited by-同舟云学术

How the Choice of Force-Field Affects the Stability and Self-Assembly Process of Supramolecular CTA Fibers

Published:2021-11-23 Issue:1 Volume:18 Page:431-440
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Piskorz Tomasz K.¹,de Vries A. H.²,van Esch Jan H.¹^ORCID

Affiliation:

1. Department of Chemical Engineering, Delft University of Technology, van der Maasweg 9, Delft, 2629 HZ, The Netherlands

2. Groningen Biomolecular Sciences and Biotechnology Institute and Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00257

Reference66 articles.

1. Self-healing and thermoreversible rubber from supramolecular assembly

2. Dipole-Moment-Driven Cooperative Supramolecular Polymerization

3. Molecular simulations of self-assembling bio-inspired supramolecular systems and their connection to experiments

4. Molecular modelling of supramolecular polymers

5. Large-Scale Molecular Dynamics Simulations of Self-Assembling Systems

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