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Title: Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis

Authors:
 [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, United States
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research Center for Inorganometallic Catalyst Design (ICDC); Univ. of Minnesota, Minneapolis, MN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1414490
Alternate Identifier(s):
OSTI ID: 1470248; OSTI ID: 1508322
Grant/Contract Number:  
SC0012702
Resource Type:
Published Article
Journal Name:
ACS Central Science
Additional Journal Information:
Journal Name: ACS Central Science Journal Volume: 4 Journal Issue: 1; Journal ID: ISSN 2374-7943
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 03 NATURAL GAS; 36 MATERIALS SCIENCE; catalysis (heterogeneous); materials and chemistry by design; synthesis (novel materials)

Citation Formats

Bernales, Varinia, Ortuño, Manuel A., Truhlar, Donald G., Cramer, Christopher J., and Gagliardi, Laura. Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis. United States: N. p., 2017. Web. doi:10.1021/acscentsci.7b00500.
Bernales, Varinia, Ortuño, Manuel A., Truhlar, Donald G., Cramer, Christopher J., & Gagliardi, Laura. Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis. United States. doi:10.1021/acscentsci.7b00500.
Bernales, Varinia, Ortuño, Manuel A., Truhlar, Donald G., Cramer, Christopher J., and Gagliardi, Laura. Thu . "Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis". United States. doi:10.1021/acscentsci.7b00500.
@article{osti_1414490,
title = {Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis},
author = {Bernales, Varinia and Ortuño, Manuel A. and Truhlar, Donald G. and Cramer, Christopher J. and Gagliardi, Laura},
abstractNote = {},
doi = {10.1021/acscentsci.7b00500},
journal = {ACS Central Science},
number = 1,
volume = 4,
place = {United States},
year = {2017},
month = {12}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1021/acscentsci.7b00500

Citation Metrics:
Cited by: 24 works
Citation information provided by
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Works referencing / citing this record:

Schalten in Metall‐organischen Gerüsten
journal, December 2019


Computational Studies of Photocatalysis with Metal–Organic Frameworks
journal, September 2019

  • Wu, Xin‐Ping; Choudhuri, Indrani; Truhlar, Donald G.
  • ENERGY & ENVIRONMENTAL MATERIALS, Vol. 2, Issue 4
  • DOI: 10.1002/eem2.12051

Schalten in Metall‐organischen Gerüsten
journal, December 2019


Computational Studies of Photocatalysis with Metal–Organic Frameworks
journal, September 2019

  • Wu, Xin‐Ping; Choudhuri, Indrani; Truhlar, Donald G.
  • ENERGY & ENVIRONMENTAL MATERIALS, Vol. 2, Issue 4
  • DOI: 10.1002/eem2.12051