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Correction to Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study.
Journal of Chemical Theory and Computation ( IF 5.7 ) Pub Date : 2020-06-16 , DOI: 10.1021/acs.jctc.0c00554
Gabriel Bramley , Manh-Thuong Nguyen , Vassiliki-Alexandra Glezakou , Roger Rousseau , Chris-Kriton Skylaris

The correct version of the Acknowledgments is shown below. G.B. (partial support), V.-A.G., M.-T.N., and R.R. were supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. Computer resources were provided by Research Computing at Pacific Northwest National Laboratory (PNNL) and the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility operated under Contract No. DE-AC02-05CH11231. PNNL is operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830. G.B. acknowledges the EPSRC for partial support in PhD funding. The authors acknowledge the use of the IRIDIS High Performance Computing Facility (IRIDIS 5) and associated support services at the University of Southampton in the completion of this work. We are grateful to the UK Materials and Molecular Modeling Hub (Thomas HPC) for computational resources, which is partially funded by EPSRC (EP/P020194/1). This article has not yet been cited by other publications.

中文翻译:

隐式溶剂模型的协调工作函数和吸附焓的校正:Pt(111)/水界面案例研究。

确认的正确版本如下所示。GB(部分支持),V.-AG,M.-TN和RR由美国能源部,科学办公室,基础能源科学,化学科学,地球科学和生物科学部提供支持。计算机资源由位于太平洋西北国家实验室(PNNL)和国家能源研究科学计算中心(NERSC)的研究计算部提供,该中心是美国能源部科学技术用户设施办公室,按合同号DE-AC02-05CH11231运营。PNNL由巴特尔(Battelle)根据合同DE-AC05-76RL01830由美国能源部运营。GB感谢EPSRC在博士资助方面的部分支持。作者承认,在完成这项工作的过程中,南安普顿大学使用了IRIDIS高性能计算工具(IRIDIS 5)和相关的支持服务。我们感谢英国材料和分子建模中心(Thomas HPC)提供的计算资源,该资源部分由EPSRC(EP / P020194 / 1)资助。本文尚未被其他出版物引用。
更新日期:2020-07-14
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