On flexible force fields for metal–organic frameworks: Recent developments and future prospects-Reference-Cited by-同舟云学术

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On flexible force fields for metal–organic frameworks: Recent developments and future prospects

Published:2018-03-25 Issue:4 Volume:8 Page:
ISSN:1759-0876
Container-title:WIREs Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Heinen Jurn¹^ORCID,Dubbeldam David¹

Affiliation:

1. Van ’t Hoff Institute for Molecular SciencesUniversity of AmsterdamAmsterdamThe Netherlands

Funder

VIDI grant

The Netherlands Research Council for Chemical Sciences (NWO-CW)

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1363

Reference179 articles.

1. Extension of the Universal Force Field to Metal–Organic Frameworks

2. Molecular mechanics. The MM3 force field for hydrocarbons. 1

3. Molecular dynamics simulations at constant pressure and/or temperature

4. Mechanical properties of cubic zinc carboxylate IRMOF-1 metal-organic framework crystals

5. An algorithm for the location of transition states

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