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Faraday Discussions

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


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

Corresponding authors
Center for Computational Sciences, University of Tsukuba, Tennodai 1-1-1, Tsukuba, Japan
E-mail: mshoji@ccs.tsukuba.ac.jp
Graduate School of Pure and Applied Sciences, University of Tsukuba, Tennodai 1-1-1, Tsukuba, Japan
Research Institute for Interdisciplinary Science, Graduate School of Natural Science and Technology, Okayama University, Okayama, Japan
Riken Advanced Institute for Computational Science, Kobe, Japan
Institute for NanoScience Design, Osaka University, Toyonaka, Japan
E-mail: yama@chem.sci.osaka-u.ac.jp
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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