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Title: How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II

Authors:
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Publication Date:
OSTI Identifier:
1249121
Report Number(s):
LLNL-JRNL--651665
Journal ID: ISSN 0002-7863
DOE Contract Number:
AC52-07NA27344
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of the American Chemical Society; Journal Volume: 137; Journal Issue: 40
Publisher:
American Chemical Society (ACS)
Research Org:
Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY