Toward Automated Tools for Characterization of Molecular Porosity-Reference-Cited by-同舟云学术

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Toward Automated Tools for Characterization of Molecular Porosity

Published:2018-12-06 Issue:1 Volume:15 Page:787-798
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

García Ismael Gómez¹²,Bernabei Marco¹,Haranczyk Maciej¹³^ORCID

Affiliation:

1. IMDEA Materials Institute, C/Eric Kandel 2, 28906 Getafe, Madrid, Spain

2. Universidad Carlos III de Madrid, Avda. Universidad 30, 28911 Leganés, Spain

3. Lawrence Berkeley National Laboratory, One Cyclotron Road, Berkeley, California 94720, United States

Funder

Ministerio de Econom?a y Competitividad

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00764

Reference44 articles.

1. Carbon Dioxide Capture in Metal–Organic Frameworks

2. Separation of Hexane Isomers in a Metal-Organic Framework with Triangular Channels

3. The materials genome in action: identifying the performance limits for methane storage

4. Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage

5. Metal–Organic Framework Materials as Chemical Sensors

Cited by 4 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. n-gon centers and central lines;Aequationes mathematicae;2024-06-22

2. Unlocking the computational design of metal–organic cages;Chemical Communications;2022

3. Toward crystalline porosity estimators for porous molecules;CrystEngComm;2020

4. Computational discovery of a large-imine-cage-based porous molecular material and its application in water desalination;Molecular Systems Design & Engineering;2019

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