Publication

    2020

  • Krishnapriyan, A. S.; Haranczyk, M.; Morozov, D. - Topological Descriptors Help Predict Guest Adsorption in Nanoporous Materials. journal of physical chemistry c 124, 17, 9360-9368, 2020. DOI: 10.1021/acs.jpcc.0c01167
  • S. K. Elsaidi; D. Ongari; M. H. Mohamed; W. Xu; R. K. Motkuri; M. Haranczyk; P. K. Thallapally - Metal Organic Frameworks for Xenon Storage Applications. acs materials 2,3, 233-238, 2020. DOI: 10.1021/acsmaterialslett.9b00468
  • 2019

  • Chung, Yongchul G.; Haldoupis, Emmanuel; Bucior, Benjamin J.; Haranczyk, Maciej; Lee, Seulchan; et al. - Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal-Organic Framework Database: CoRE MOF 2019. journal of chemical and engineering data 64-12, 5985-5998, 2019. DOI: 10.1021/acs.jced.9b00835
  • Bernabei, M; Soto, RP; Garcia, IG; Haranczyk, M - Computational discovery of a large-imine-cage-based porous molecular material and its application in water desalination. molecular systems design & engineering 4-4, 912-920, 2019. DOI: 10.1039/c9me00018f
  • Perez, JLS; Haranczyk, M; Zimmermann, NER - High-throughput assessment of hypothetical zeolite materials for their synthesizeability and industrial deployability. zeitschrift fur kristallographie-crystalline materials 234, 437-450, 2019. DOI: 10.1515/zkri-2018-2155
  • Qi, XL; Zhou, DD; Zhang, J; Hu, S; Haranczyk, M; Wang, DY - Simultaneous Improvement of Mechanical and Fire-Safety Properties of Polymer Composites with Phosphonate-Loaded MOF Additives. acs applied materials & interfaces 11, 20325-20332, 2019. DOI: 10.1021/acsami.9b02357
  • Moosavi, S. M.; Chidambaram, A.; Talirz, L.; Haranczyk, M.; Stylianou, K. C.; Smit, B. - Capturing chemical intuition in synthesis of metal-organic frameworks. nature communications 10, 2019. DOI: 10.1038/s41467-019-08483-9
  • Garcia, I. G.; Bernabei, M.; Haranczyk, M. - Toward Automated Tools for Characterization of Molecular Porosity. journal of chemical theory and computation 15, 787-798, 2019. DOI: 10.1021/acs.jctc.8b00764
  • 2018

  • Yue, H-B.; Guo, J. W.; Fu, S. Q.; Li, X.; Wen, W. Q.; Jiang, W. Z.; Tong, R.; Haranczyk, M. - Structural design, preparation and characterization of light, isotropic and robust statically determined organic frameworks as reusable adsorbents. chemical engineering journal 335, 887-895, 2018. DOI: 10.1016/j.cej.2017.10.160
  • Mercado, Rocio; Fu, Rueih-Sheng; Yakutovich, Aliaksandr V.; Talirz, Leopold; Haranczyk, Maciej; Smit, Berend - In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage Applications. chemistry of materials 30, 5069-5086, 2018. DOI: 10.1021/acs.chemmater.8b01425
  • Witman, Matthew; Ling, Sanliang; Boyd, Peter; Barthel, Senja; Haranczyk, Maciej; Slater, Ben; Smit, Berend - Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites. acs central science 4, 235-245, 2018. DOI: 10.1021/acscentsci.7b00555
  • Banerjee, Debasis; Simon, Cory M.; Elsaidi, Sameh K.; Haranczyk, Maciej; Thallapally, Praveen K. - Xenon Gas Separation and Storage Using Metal-Organic Frameworks. chem 4, 466-494, 2018. DOI: 10.1016/j.chempr.2017.12.025
  • Bernabei, M.; Perez-Soto, R.; Garcia, I.G.; Haranczyk, M. - In silico design and assembly of cage molecules into porous molecular materials. molecular systems design & engineering 3, 942-950, 2018. DOI: 10.1039/c8me00055g
  • 2017

  • Urbaszek, Piotr; Gajewicz, Agnieszka; Sikorska, Celina; Haranczyk, Maciej; Puzyn, Tomasz - Modeling adsorption of brominated, chlorinated and mixed bromo/chloro-dibenzo-p-dioxins on C-60 fullerene using Nano-QSPR. beilstein journal of nanotechnology 8, 752-761, 2017. DOI: 10.3762/bjnano.8.78
  • Garcia, Ismael Gomez; Bernabei, Marco; Soto, Raul Perez; Haranczyk, Maciej - Out-of-Oblivion Cage Molecules and Their Porous Crystalline Phases. crystal growth & design 17, 5614-5619, 2017. DOI: 10.1021/acs.cgd.7b01095
  • Elsaidi, Sameh K.; Ongari, Daniele; Xu, Wenqian; Mohamed, Mona H.; Haranczyk, Maciej; Thallapally, Praveen K. - Xenon Recovery at Room Temperature using Metal-Organic Frameworks. chemistry-a european journal 23, 10758-10762, 2017. DOI: 10.1002/chem.201702668
  • Ongari, Daniele; Boyd, Peter G.; Barthel, Senja; Witman, Matthew; Haranczyk, Maciej; Smit, Berend - Accurate Characterization of the Pore Volume in Microporous Crystalline Materials. langmuir 33, 14529-14538, 2017. DOI: 10.1021/acs.langmuir.7b01682
  • Witman, Matthew; Ling, Sanliang; Gladysiak, Andrzej; Stylianou, Kyriakos C.; Smit, Berend; Slater, Ben; Haranczyk, Maciej - Rational Design of a Low-Cost, High-Performance Metal-Organic Framework for Hydrogen Storage and Carbon Capture. journal of physical chemistry c 121, 1171-1181, 2017. DOI: 10.1021/acs.jpcc.6b10363
  • Witman, Matthew; Ling, Sanliang; Jawahery, Sudi; Boyd, Peter G.; Haranczyk, Maciej; Slater, Ben; Smit, Berend - The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials. journal of the american chemical society 139, 5547-5557, 2017. DOI: 10.1021/jacs.7b01688
  • M. Bernabei, R. Pérez-Soto, I. Gómez García, and M. Haranczyk - Towards stable porous crystalline phases of molecular belts. crystengcomm 19, 6932-6935, 2017. DOI: 10.1039/C7CE01679D
  • 2016

  • Paik, Dooam; Haranczyk, Maciej; Kim, Jihan - Towards accurate porosity descriptors based on guest-host interactions. journal of molecular graphics & modelling 66, 91-98, 2016. DOI: 10.1016/j.jmgm.2016.03.007
  • Zimmermann, Nils E. R.; Haranczyk, Maciej - History and Utility of Zeolite Framework-Type Discovery from a Data-Science Perspective. crystal growth & design 16, 3043-+, 2016. DOI: 10.1021/acs.cgd.6b00272
  • Witman, Matthew; Ling, Sanliang; Anderson, Samantha; Tong, Lianheng; Stylianou, Kyriakos C.; Slater, Ben; Smit, Berend; Haranczyk, Maciej - In silico design and screening of hypothetical MOF-74 analogs and their experimental synthesis. chemical science 7, 6263-6272, 2016. DOI: 10.1039/c6sc01477a
  • Evans, Jack D.; Huang, David M.; Haranczyk, Maciej; Thornton, Aaron W.; Sumby, Christopher J.; Doonan, Christian J. - Computational identification of organic porous molecular crystals. crystengcomm 18, 4133-4141, 2016. DOI: 10.1039/c6ce00064a
  • Banerjee, Debasis; Simon, Cory M.; Plonka, Anna M.; Motkuri, Radha K.; Liu, Jian; Chen, Xianyin; Smit, Berend; Parise, John B.; Haranczyk, Maciej; Thallapally, Praveen K. - Metal-organic framework with optimally selective xenon adsorption and separation. nature communications 7, 2016. DOI: 10.1038/ncomms11831