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Title: Density Functional Theory of the Water Splitting Reaction on Fe(0): Comparison of Local and Nonlocal Correlation Functionals

Authors:
 [1];  [1];  [1];  [1];  [1];  [1]
  1. Department of Chemistry, Chemical Theory Center, Inorganometallic Catalyst Design Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431, United States
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research Center for Inorganometallic Catalyst Design (ICDC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1384819
DOE Contract Number:  
SC0012702
Resource Type:
Journal Article
Resource Relation:
Journal Name: ACS Catalysis; Journal Volume: 5; Journal Issue: 4; Related Information: ICDC partners with University of Minnesota(lead); Argonne National Laboratory; Clemson University; Dow Chemical Company; Northwestern University; Pacific Northwest National Laboratory; University of California Davis; University of Washington
Country of Publication:
United States
Language:
English
Subject:
catalysis (heterogeneous), materials and chemistry by design, synthesis (novel materials)

Citation Formats

Bao, Junwei Lucas, Yu, Haoyu S., Duanmu, Kaining, Makeev, Maxim A., Xu, Xuefei, and Truhlar, Donald G. Density Functional Theory of the Water Splitting Reaction on Fe(0): Comparison of Local and Nonlocal Correlation Functionals. United States: N. p., 2015. Web. doi:10.1021/cs501675t.
Bao, Junwei Lucas, Yu, Haoyu S., Duanmu, Kaining, Makeev, Maxim A., Xu, Xuefei, & Truhlar, Donald G. Density Functional Theory of the Water Splitting Reaction on Fe(0): Comparison of Local and Nonlocal Correlation Functionals. United States. doi:10.1021/cs501675t.
Bao, Junwei Lucas, Yu, Haoyu S., Duanmu, Kaining, Makeev, Maxim A., Xu, Xuefei, and Truhlar, Donald G. Fri . "Density Functional Theory of the Water Splitting Reaction on Fe(0): Comparison of Local and Nonlocal Correlation Functionals". United States. doi:10.1021/cs501675t.
@article{osti_1384819,
title = {Density Functional Theory of the Water Splitting Reaction on Fe(0): Comparison of Local and Nonlocal Correlation Functionals},
author = {Bao, Junwei Lucas and Yu, Haoyu S. and Duanmu, Kaining and Makeev, Maxim A. and Xu, Xuefei and Truhlar, Donald G.},
abstractNote = {},
doi = {10.1021/cs501675t},
journal = {ACS Catalysis},
number = 4,
volume = 5,
place = {United States},
year = {Fri Feb 27 00:00:00 EST 2015},
month = {Fri Feb 27 00:00:00 EST 2015}
}