An efficient protocol for computing the pKa of Zn-bound water
Author:
Affiliation:
1. Institute of Biomedical Sciences
2. Academia Sinica
3. Taipei 115
4. Taiwan
5. Department of Biomathematics
6. David Geffen School of Medicine at UCLA
7. USA
8. Department of Chemistry
Abstract
We present an efficient and accurate method for computing absolute pKw values in Zn2+ complexes.
Funder
Ministry of Science and Technology, Taiwan
Academia Sinica
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP05029E
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