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Design of active sites for amine-functionalized direct air capture materials using integrated high-throughput calculations and machine learning.

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Title: Design of active sites for amine-functionalized direct air capture materials using integrated high-throughput calculations and machine learning.
Authors: Davis, Megan C.1,2 (AUTHOR) megand@lanl.gov, Kort-Kamp, Wilton J. M.1 (AUTHOR), Matanovic, Ivana1 (AUTHOR), Zelenay, Piotr3 (AUTHOR), Holby, Edward F.1 (AUTHOR) holby@lanl.gov
Source: Communications Chemistry. 1/7/2026, Vol. 9 Issue 1, p1-12. 12p.
Database: Academic Search Ultimate
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An: 190749471
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  Data: Design of active sites for amine-functionalized direct air capture materials using integrated high-throughput calculations and machine learning.
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  Data: <searchLink fieldCode="AR" term="%22Davis%2C+Megan+C%2E%22">Davis, Megan C.</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<i> megand@lanl.gov</i><br /><searchLink fieldCode="AR" term="%22Kort-Kamp%2C+Wilton+J%2E+M%2E%22">Kort-Kamp, Wilton J. M.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Matanovic%2C+Ivana%22">Matanovic, Ivana</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Zelenay%2C+Piotr%22">Zelenay, Piotr</searchLink><relatesTo>3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Holby%2C+Edward+F%2E%22">Holby, Edward F.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> holby@lanl.gov</i>
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  Data: <searchLink fieldCode="JN" term="%22Communications+Chemistry%22">Communications Chemistry</searchLink>. 1/7/2026, Vol. 9 Issue 1, p1-12. 12p.
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=190749471
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        Value: 10.1038/s42004-025-01819-1
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      – Code: eng
        Text: English
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            NameFull: Davis, Megan C.
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            NameFull: Kort-Kamp, Wilton J. M.
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            NameFull: Zelenay, Piotr
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              M: 01
              Text: 1/7/2026
              Type: published
              Y: 2026
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              Value: 9
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