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Computational study in a PUI using XSEDE resources and ECSS support
Resource type
Authors/contributors
- Wang, Emily Z (Author)
- Wang, Yigui (Author)
Title
Computational study in a PUI using XSEDE resources and ECSS support
Abstract
In the past 5 years, we have been using XSEDE resources and ECSS support to conduct research at Southern Connecticut State University (SCSU), a primary undergraduate institution (PUI). First, the regioselectivity was successfully investigated in the synthesis of 5-FU derivatives with phase transition method and silver salt method; then the Hard and Soft Acids and Bases (HSAB) principle and the Marcus theory were unified in the study of ambident reactivity; at last our research was expanded from reactions of molecules to reactions on the solid surface. We would like to share our results and emphasize the importance of XSEDE resources and ECSS support for the research in PUIs. © 2020 ACM.
Proceedings Title
ACM International Conference Proceeding Series
Publisher
Association for Computing Machinery
Date
2020
Pages
534–537
ISBN
9781450366892 (ISBN)
Citation Key
wangComputationalStudyPUI2020
Language
English
Extra
0 citations (Crossref) [2023-10-31]
Type: Conference paper
tex.citation: https://api.elsevier.com/content/abstract/scopusid/85089283344
Citation
Wang, E. Z., & Wang, Y. (2020). Computational study in a PUI using XSEDE resources and ECSS support. ACM International Conference Proceeding Series, 534–537. https://doi.org/10.1145/3311790.3400849
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