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Title: Molecular Dynamics Simulations and XAFS (MD-XAFS)

Abstract

MD-XAFS (Molecular Dynamics X-ray Adsorption Fine Structure) makes the connection between simulation techniques that generate an ensemble of molecular configurations and the direct signal observed from X-ray measurement.

Authors:
;
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1349170
Report Number(s):
PNNL-SA-112385
KC0301050; KC0301050
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Book
Resource Relation:
Related Information: XAFS Techniques for Catalysts, Nanomaterials, and Surfaces, 251-270
Country of Publication:
United States
Language:
English
Subject:
MD-XAFS; DFT-MD; XAFS; molecular dynamics

Citation Formats

Schenter, Gregory K., and Fulton, John L. Molecular Dynamics Simulations and XAFS (MD-XAFS). United States: N. p., 2017. Web. doi:10.1007/978-3-319-43866-5_18.
Schenter, Gregory K., & Fulton, John L. Molecular Dynamics Simulations and XAFS (MD-XAFS). United States. doi:10.1007/978-3-319-43866-5_18.
Schenter, Gregory K., and Fulton, John L. Fri . "Molecular Dynamics Simulations and XAFS (MD-XAFS)". United States. doi:10.1007/978-3-319-43866-5_18.
@article{osti_1349170,
title = {Molecular Dynamics Simulations and XAFS (MD-XAFS)},
author = {Schenter, Gregory K. and Fulton, John L.},
abstractNote = {MD-XAFS (Molecular Dynamics X-ray Adsorption Fine Structure) makes the connection between simulation techniques that generate an ensemble of molecular configurations and the direct signal observed from X-ray measurement.},
doi = {10.1007/978-3-319-43866-5_18},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jan 20 00:00:00 EST 2017},
month = {Fri Jan 20 00:00:00 EST 2017}
}

Book:
Other availability
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