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Title: Identifying promising metal–organic frameworks for heterogeneous catalysis via high‐throughput periodic density functional theory

ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Department of Chemical and Biological Engineering Northwestern University Evanston Illinois 60208
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Publisher's Accepted Manuscript
Journal Name:
Journal of Computational Chemistry
Additional Journal Information:
Journal Name: Journal of Computational Chemistry Journal Volume: 40 Journal Issue: 12; Journal ID: ISSN 0192-8651
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
United States

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Rosen, Andrew S., Notestein, Justin M., and Snurr, Randall Q. Identifying promising metal–organic frameworks for heterogeneous catalysis via high‐throughput periodic density functional theory. United States: N. p., 2019. Web.
Rosen, Andrew S., Notestein, Justin M., & Snurr, Randall Q. Identifying promising metal–organic frameworks for heterogeneous catalysis via high‐throughput periodic density functional theory. United States.
Rosen, Andrew S., Notestein, Justin M., and Snurr, Randall Q. Mon . "Identifying promising metal–organic frameworks for heterogeneous catalysis via high‐throughput periodic density functional theory". United States.
title = {Identifying promising metal–organic frameworks for heterogeneous catalysis via high‐throughput periodic density functional theory},
author = {Rosen, Andrew S. and Notestein, Justin M. and Snurr, Randall Q.},
abstractNote = {},
doi = {10.1002/jcc.25787},
journal = {Journal of Computational Chemistry},
number = 12,
volume = 40,
place = {United States},
year = {2019},
month = {2}

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