Publications by authors named "Jurn Heinen"

9Publications

In situ visualization of loading-dependent water effects in a stable metal-organic framework.

Nat Chem 2020 02 2;12(2):186-192. Epub 2019 Dec 2.

School of Chemical and Biomolecular Engineering, Georgia Institute of Technology, Atlanta, GA, USA.

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http://dx.doi.org/10.1038/s41557-019-0374-yDOI Listing
February 2020

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

Wiley Interdiscip Rev Comput Mol Sci 2018 Jul-Aug;8(4):e1363. Epub 2018 Mar 25.

Van 't Hoff Institute for Molecular Sciences University of Amsterdam Amsterdam The Netherlands.

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http://dx.doi.org/10.1002/wcms.1363DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6032946PMC
March 2018

Elucidating the Variable-Temperature Mechanical Properties of a Negative Thermal Expansion Metal-Organic Framework.

ACS Appl Mater Interfaces 2018 Jun 12;10(25):21079-21083. Epub 2018 Jun 12.

Sandia National Laboratories , 7011 East Avenue , Livermore , California 94551 , United States.

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http://dx.doi.org/10.1021/acsami.8b06604DOI Listing
June 2018

Mechanical Properties in Metal-Organic Frameworks: Emerging Opportunities and Challenges for Device Functionality and Technological Applications.

Adv Mater 2018 Sep 17;30(37):e1704124. Epub 2017 Nov 17.

Sandia National Laboratories, Livermore, CA, 94551, USA.

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http://dx.doi.org/10.1002/adma.201704124DOI Listing
September 2018

Flexible Force Field Parameterization through Fitting on the Ab Initio-Derived Elastic Tensor.

J Chem Theory Comput 2017 Aug 19;13(8):3722-3730. Epub 2017 Jul 19.

Van 't Hoff Institute for Molecular Sciences, University of Amsterdam , Science Park 904, 1098 XH Amsterdam, The Netherlands.

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http://dx.doi.org/10.1021/acs.jctc.7b00310DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5550891PMC
August 2017

Polarizable Force Fields for CO and CH Adsorption in M-MOF-74.

J Phys Chem C Nanomater Interfaces 2017 Mar 31;121(8):4659-4673. Epub 2017 Jan 31.

Engineering Thermodynamics, Process & Energy Department, Faculty of Mechanical, Maritime and Materials Engineering, Delft University of Technology , Leeghwaterstraat 39, 2628CB Delft, The Netherlands.

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http://dx.doi.org/10.1021/acs.jpcc.6b12052DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338003PMC
March 2017

Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory.

Chemistry 2016 Dec 2;22(50):18045-18050. Epub 2016 Nov 2.

Van't Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098X, Amsterdam, The Netherlands.

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http://doi.wiley.com/10.1002/chem.201603895
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http://dx.doi.org/10.1002/chem.201603895DOI Listing
December 2016

Understanding and solving disorder in the substitution pattern of amino functionalized MIL-47(V).

Dalton Trans 2016 Mar;45(10):4309-15

Van't Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098 XH Amsterdam, The Netherlands.

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http://dx.doi.org/10.1039/c5dt03399cDOI Listing
March 2016

Entropic separation of styrene/ethylbenzene mixtures by exploitation of subtle differences in molecular configurations in ordered crystalline nanoporous adsorbents.

Langmuir 2015 Mar 20;31(12):3771-8. Epub 2015 Mar 20.

Van 't Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098 XH Amsterdam, The Netherlands.

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http://dx.doi.org/10.1021/acs.langmuir.5b00363DOI Listing
March 2015