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Title: Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules

Authors:
; ORCiD logo; ; ; ; ORCiD logo
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1388990
DOE Contract Number:  
SC0001015
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 146; Journal Issue: 23; Related Information: CGS partners with University of California, Berkeley; University of California, Davis; Lawrence Berkeley National Laboratory; University of Minnesota; National Energy Technology Laboratory; Texas A&M University; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
membrane, carbon capture, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly), synthesis (scalable processing)

Citation Formats

Berland, Kristian, Jiao, Yang, Lee, Jung-Hoon, Rangel, Tonatiuh, Neaton, Jeffrey B., and Hyldgaard, Per. Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules. United States: N. p., 2017. Web. doi:10.1063/1.4986522.
Berland, Kristian, Jiao, Yang, Lee, Jung-Hoon, Rangel, Tonatiuh, Neaton, Jeffrey B., & Hyldgaard, Per. Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules. United States. doi:10.1063/1.4986522.
Berland, Kristian, Jiao, Yang, Lee, Jung-Hoon, Rangel, Tonatiuh, Neaton, Jeffrey B., and Hyldgaard, Per. Wed . "Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules". United States. doi:10.1063/1.4986522.
@article{osti_1388990,
title = {Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules},
author = {Berland, Kristian and Jiao, Yang and Lee, Jung-Hoon and Rangel, Tonatiuh and Neaton, Jeffrey B. and Hyldgaard, Per},
abstractNote = {},
doi = {10.1063/1.4986522},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 23,
volume = 146,
place = {United States},
year = {2017},
month = {6}
}

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