Literature DB >> 23826973

Development of computational methodologies for metal-organic frameworks and their application in gas separations.

Qingyuan Yang1, Dahuan Liu, Chongli Zhong, Jian-Rong Li.   

Abstract

Entities:  

Year:  2013        PMID： 23826973     DOI： 10.1021/cr400005f

Source DB:  PubMed          Journal:  Chem Rev        ISSN： 0009-2665            Impact factor:   60.622


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  23 in total

1.  A collection of forcefield precursors for metal-organic frameworks.

Authors:  Taoyi Chen; Thomas A Manz
Journal:  RSC Adv       Date:  2019-11-13       Impact factor: 4.036

2.  Identifying misbonded atoms in the 2019 CoRE metal-organic framework database.

Authors:  Taoyi Chen; Thomas A Manz
Journal:  RSC Adv       Date:  2020-07-20       Impact factor: 4.036

3.  Transferable Force Field for Metal-Organic Frameworks from First-Principles: BTW-FF.

Authors:  Jessica K Bristow; Davide Tiana; Aron Walsh
Journal:  J Chem Theory Comput       Date:  2014-08-27       Impact factor: 6.006

4.  Study of Adsorption and Desorption Performances of Zr-Based Metal-Organic Frameworks Using Paper Spray Mass Spectrometry.

Authors:  Xiaoting Wang; Ying Chen; Yajun Zheng; Zhiping Zhang
Journal:  Materials (Basel)       Date:  2017-07-08       Impact factor: 3.623

5.  Performance-Based Screening of Porous Materials for Carbon Capture.

Authors:  Amir H Farmahini; Shreenath Krishnamurthy; Daniel Friedrich; Stefano Brandani; Lev Sarkisov
Journal:  Chem Rev       Date:  2021-08-10       Impact factor: 60.622

6.  Geometric landscapes for material discovery within energy-structure-function maps.

Authors:  Seyed Mohamad Moosavi; Henglu Xu; Linjiang Chen; Andrew I Cooper; Berend Smit
Journal:  Chem Sci       Date:  2020-04-29       Impact factor: 9.825

7.  An in situ self-assembly template strategy for the preparation of hierarchical-pore metal-organic frameworks.

Authors:  Hongliang Huang; Jian-Rong Li; Keke Wang; Tongtong Han; Minman Tong; Liangsha Li; Yabo Xie; Qingyuan Yang; Dahuan Liu; Chongli Zhong
Journal:  Nat Commun       Date:  2015-11-09       Impact factor: 14.919

8.  Adsorptive Removal of Pharmaceuticals and Personal Care Products from Water with Functionalized Metal-organic Frameworks: Remarkable Adsorbents with Hydrogen-bonding Abilities.

Authors:  Pill Won Seo; Biswa Nath Bhadra; Imteaz Ahmed; Nazmul Abedin Khan; Sung Hwa Jhung
Journal:  Sci Rep       Date:  2016-10-03       Impact factor: 4.379

9.  A versatile MOF-based trap for heavy metal ion capture and dispersion.

Authors:  Yaguang Peng; Hongliang Huang; Yuxi Zhang; Chufan Kang; Shuangming Chen; Li Song; Dahuan Liu; Chongli Zhong
Journal:  Nat Commun       Date:  2018-01-15       Impact factor: 14.919

10.  Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2(dobdc) Metal-Organic Frameworks.

Authors:  Bess Vlaisavljevich; Johanna Huck; Zeric Hulvey; Kyuho Lee; Jarad A Mason; Jeffrey B Neaton; Jeffrey R Long; Craig M Brown; Dario Alfè; Angelos Michaelides; Berend Smit
Journal:  J Phys Chem A       Date:  2017-05-18       Impact factor: 2.781
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