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National Institute of Environmental Health Sciences

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Your Environment. Your Health.

Project Publications: Louisiana State University: Computational Core

Superfund Research Program

Computational Core

Project Leader: Randall W. Hall (Dominican University of California)
Grant Number: P42ES013648
Funding Period: 2011-2018
View this project in the NIH Research Portfolio Online Reporting Tools (RePORT)

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Publications

2017

  • Patterson MC, DiTusa MF, McFerrin CA, Kurtz RL, Hall RW, Poliakoff ED, Sprunger PT. 2017. Formation of environmentally persistent free radicals (EPFRs) on ZnO at room temperature: Implications for the fundamental model of EPFR generation. Chem Phys Letts 670:5-10. doi:10.1016/j.cplett.2016.12.061 PMID:28824195 PMCID:PMC5560487

2016

  • Ma X, Hall RW, Loffler F, Kowalski K, Bhaskaran-Nair K, Jarrell M, Moreno J. 2016. Sign Learning Kink-based (SiLK) Quantum Monte Carlo for molecular systems. J Chem Phys 144(1):014101. doi:10.1063/1.4939145 PMID:26747795

2011

  • Bae GT, Dellinger B, Hall RW. 2011. Density functional calculation of the structure and electronic properties of Cu(n)O(n) (n = 1-8) clusters. J Phys Chem A 115(11):2087-2095. doi:10.1021/jp104177q PMID:21361346 PMCID:PMC3070270 (Completed with ARRA Funds)
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