Literature DB >> 25872949

Quantum-Chemical Characterization of the Properties and Reactivities of Metal-Organic Frameworks.

Samuel O Odoh1, Christopher J Cramer1, Donald G Truhlar1, Laura Gagliardi1.   

Abstract

Entities:  

Year:  2015        PMID： 25872949     DOI： 10.1021/cr500551h

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


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  20 in total

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3.  Electrochemical determination of 2,4,6-trinitrophenol using a hybrid film composed of a copper-based metal organic framework and electroreduced graphene oxide.

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Review 4.  Metal-organic and covalent organic frameworks as single-site catalysts.

Authors:  S M J Rogge; A Bavykina; J Hajek; H Garcia; A I Olivos-Suarez; A Sepúlveda-Escribano; A Vimont; G Clet; P Bazin; F Kapteijn; M Daturi; E V Ramos-Fernandez; F X Llabrés I Xamena; V Van Speybroeck; J Gascon
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5.  In Search of the Reason for the Breathing Effect of MIL53 Metal-Organic Framework: An ab Initio Multiconfigurational Study.

Authors:  Oskar Weser; Valera Veryazov
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6.  H3O(+) tetrahedron induction in large negative linear compressibility.

Authors:  Hui Wang; Min Feng; Yu-Fang Wang; Zhi-Yuan Gu
Journal:  Sci Rep       Date:  2016-05-17       Impact factor: 4.379

7.  Molecular modeling of zinc paddlewheel molecular complexes and the pores of a flexible metal organic framework.

Authors:  Khalid A H Alzahrani; Robert J Deeth
Journal:  J Mol Model       Date:  2016-03-15       Impact factor: 1.810

8.  In silico discovery of metal-organic frameworks for precombustion CO2 capture using a genetic algorithm.

Authors:  Yongchul G Chung; Diego A Gómez-Gualdrón; Peng Li; Karson T Leperi; Pravas Deria; Hongda Zhang; Nicolaas A Vermeulen; J Fraser Stoddart; Fengqi You; Joseph T Hupp; Omar K Farha; Randall Q Snurr
Journal:  Sci Adv       Date:  2016-10-14       Impact factor: 14.136

Review 9.  Computational Design of Functionalized Metal-Organic Framework Nodes for Catalysis.

Authors:  Varinia Bernales; Manuel A Ortuño; Donald G Truhlar; Christopher J Cramer; Laura Gagliardi
Journal:  ACS Cent Sci       Date:  2017-12-21       Impact factor: 14.553

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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