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Faraday Discussions

Discussion summary and research papers from discussion meetings that focus on rapidly developing areas of chemistry

Paper

Large-scale QM/MM calculations of the CaMn4O5 cluster in the S3 state of the oxygen evolving complex of photosystem II. Comparison between water-inserted and no water-inserted structures

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Corresponding authors
a
Center for Computational Sciences, University of Tsukuba, Tennodai 1-1-1, Tsukuba, Japan
E-mail: mshoji@ccs.tsukuba.ac.jp
b
Graduate School of Pure and Applied Sciences, University of Tsukuba, Tennodai 1-1-1, Tsukuba, Japan
c
Research Institute for Interdisciplinary Science, Graduate School of Natural Science and Technology, Okayama University, Okayama, Japan
d
Riken Advanced Institute for Computational Science, Kobe, Japan
e
Institute for NanoScience Design, Osaka University, Toyonaka, Japan
E-mail: yama@chem.sci.osaka-u.ac.jp
f
Handairigaku Techno-Research (NPO), Toyonaka, Japan
Faraday Discuss., 2017, Advance Article

DOI: 10.1039/C6FD00230G
Received 09 Nov 2016, Accepted 22 Nov 2016
First published online 22 Nov 2016

This article is part of themed collection: Artificial Photosynthesis
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