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We study complex eaction mechanisms of organometallic catalysts using computational molecular modeling techniques. One area of focus is C-H activation reactions that are important for organic synthesis. Another area of interest is artificial photosynthesis, in particular, catalytic reduction of carbon dioxide and oxidation of water. Almost all of our work is done in close collaboration with experimental groups and our ultimate goal is to use computational chemistry to PREDICT new catalysts and new reactions much more efficiently and more quickly than by traditional methods.
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论文共 340 篇作者统计合作学者相似作者
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JOURNAL OF ORGANIC CHEMISTRY (2024)
JOURNAL OF THE AMERICAN CHEMICAL SOCIETYno. 2 (2024): 1447-1454
Mehrafshan G. Jafari, John B. Russell, Hanna Lee, Bimal Pudasaini,Digvijayee Pal,Zhihui Miao,Michael R. Gau,Patrick J. Carroll,Brent S. Sumerlin,Adam S. Veige,Mu-Hyun Baik,Daniel J. Mindiola
JOURNAL OF THE AMERICAN CHEMICAL SOCIETYno. 5 (2024): 2997-3009
JOURNAL OF THE AMERICAN CHEMICAL SOCIETYno. 7 (2024): 4521-4531
ADVANCED SCIENCEno. 4 (2024)
Sangjune Park, Cheol-Eui Kim,Jinhoon Jeong,Ho Ryu,Chanyoung Maeng,Dongwook Kim,Mu-Hyun Baik,Phil Ho Lee
Nature communicationsno. 1 (2023): 7936-7936
Chemno. 5 (2023): 1309-1317
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