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Title: Validation of Density Functionals for Adsorption Energies on Transition Metal Surfaces

Authors:
ORCiD logo [1]; ORCiD logo [1]
  1. Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-043, 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:
1388270
DOE Contract Number:  
SC0012702
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Theory and Computation; Journal Volume: 13; Journal Issue: 2; 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

Duanmu, Kaining, and Truhlar, Donald G. Validation of Density Functionals for Adsorption Energies on Transition Metal Surfaces. United States: N. p., 2017. Web. doi:10.1021/acs.jctc.6b01156.
Duanmu, Kaining, & Truhlar, Donald G. Validation of Density Functionals for Adsorption Energies on Transition Metal Surfaces. United States. doi:10.1021/acs.jctc.6b01156.
Duanmu, Kaining, and Truhlar, Donald G. Tue . "Validation of Density Functionals for Adsorption Energies on Transition Metal Surfaces". United States. doi:10.1021/acs.jctc.6b01156.
@article{osti_1388270,
title = {Validation of Density Functionals for Adsorption Energies on Transition Metal Surfaces},
author = {Duanmu, Kaining and Truhlar, Donald G.},
abstractNote = {},
doi = {10.1021/acs.jctc.6b01156},
journal = {Journal of Chemical Theory and Computation},
number = 2,
volume = 13,
place = {United States},
year = {Tue Jan 03 00:00:00 EST 2017},
month = {Tue Jan 03 00:00:00 EST 2017}
}