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Title: The magnetic and electronic structure of vanadyl pyrophosphate from density functional theory

Authors:
; ; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Catalytic Hydrocarbon Functionalization (CCHF)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1380666
DOE Contract Number:  
SC0001298
Resource Type:
Journal Article
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Volume: 13; Journal Issue: 20; Related Information: CCHF partners with University of Virginia (lead); Brigham Young University; California Institute of Technology; Colorado School of Mines; University of Maryland; University of North Carolina, Chapel Hill; University of North Texas; Princeton University; The Scripps Research Institute; Yale University; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
catalysis (homogeneous), catalysis (heterogeneous), bio-inspired, hydrogen and fuel cells, materials and chemistry by design, synthesis (novel materials)

Citation Formats

Cheng, Mu-Jeng, Nielsen, Robert J., Tahir-Kheli, Jamil, and Goddard III, William A. The magnetic and electronic structure of vanadyl pyrophosphate from density functional theory. United States: N. p., 2011. Web. doi:10.1039/C0CP02777D.
Cheng, Mu-Jeng, Nielsen, Robert J., Tahir-Kheli, Jamil, & Goddard III, William A. The magnetic and electronic structure of vanadyl pyrophosphate from density functional theory. United States. doi:10.1039/C0CP02777D.
Cheng, Mu-Jeng, Nielsen, Robert J., Tahir-Kheli, Jamil, and Goddard III, William A. Sat . "The magnetic and electronic structure of vanadyl pyrophosphate from density functional theory". United States. doi:10.1039/C0CP02777D.
@article{osti_1380666,
title = {The magnetic and electronic structure of vanadyl pyrophosphate from density functional theory},
author = {Cheng, Mu-Jeng and Nielsen, Robert J. and Tahir-Kheli, Jamil and Goddard III, William A.},
abstractNote = {},
doi = {10.1039/C0CP02777D},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
issn = {1463-9076},
number = 20,
volume = 13,
place = {United States},
year = {2011},
month = {1}
}

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