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References from Evolving transition-state search with agentic large language models. Local targets link to admitted publications; unresolved targets remain external evidence.
10.1038/nchem.2099
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10.1002/wcms.1538 · 2021 · External reference
10.1021/acs.jctc.2c00193
10.1021/acs.jctc.2c00193 · 2022 · External reference
10.1038/s41467-024-47997-9
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10.1016/j.cpc.2016.02.013
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10.1063/1.1415500 · 2001 · External reference
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10.1063/1.2976010 · 2008 · External reference
10.1103/physrevb.78.153202
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10.1021/acs.jctc.8b00626
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10.1039/c7cs00602k · 2017 · External reference
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10.1002/wcms.1354 · 2018 · External reference
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10.1142/9789812839664_0016 · External reference
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10.1063/1.1323224 · 2000 · External reference
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10.1063/1.1329672 · 2000 · External reference
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10.1063/1.1636455 · 2004 · External reference
10.1063/1.4878664
10.1063/1.4878664 · 2014 · External reference
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10.1063/1.4961868 · 2016 · External reference
10.1021/acs.jctc.9b00633
10.1021/acs.jctc.9b00633 · 2019 · External reference
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10.1063/1.5064465 · 2019 · External reference
10.1021/acs.jctc.8b01229
10.1021/acs.jctc.8b01229 · 2019 · External reference
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10.1021/acs.jctc.1c00462 · 2021 · External reference
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10.1063/1.4804162 · 2013 · External reference
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10.1063/1.3664901 · External reference
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10.1063/1.2163875 · 2006 · External reference
10.1021/jp0455430
10.1021/jp0455430 · 2005 · External reference
10.1002/jcc.20053
10.1002/jcc.20053 · 2004 · External reference
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10.1021/j100238a013 · 1983 · External reference
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10.1063/1.442352
10.1063/1.442352 · 1981 · External reference
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10.1063/1.480097 · 1999 · External reference
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10.1063/1.2815812 · 2008 · External reference
10.1103/physrevlett.77.4358
10.1103/physrevlett.77.4358 · 1996 · External reference
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10.1103/physreve.62.7723 · 2000 · External reference
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10.1063/1.2104507 · 2005 · External reference
10.1021/acs.jpca.7b07361
10.1021/acs.jpca.7b07361 · 2017 · External reference
10.1016/j.cpc.2019.106947
10.1016/j.cpc.2019.106947 · 2020 · External reference
10.1021/acs.jctc.5b00866
10.1021/acs.jctc.5b00866 · 2015 · External reference
10.1002/jcc.25106
10.1002/jcc.25106 · 2018 · External reference
10.1021/acs.jcim.3c00102
10.1021/acs.jcim.3c00102 · 2023 · External reference
10.1063/1.4986787
10.1063/1.4986787 · 2017 · External reference
10.1103/physrevlett.122.156001
10.1103/physrevlett.122.156001 · 2019 · External reference
Unresolved reference
External reference
10.1038/s41467-023-44629-6
10.1038/s41467-023-44629-6 · 2024 · External reference
10.1038/s42256-025-01010-0
10.1038/s42256-025-01010-0 · 2025 · External reference
10.1038/s41467-024-52481-5
10.1038/s41467-024-52481-5 · 2024 · External reference
Unresolved reference
External reference
Unresolved reference
External reference
10.1038/s41597-022-01870-w
10.1038/s41597-022-01870-w · 2022 · External reference
10.1063/5.0055094
10.1063/5.0055094 · 2021 · External reference
10.1038/s43588-023-00563-7
10.1038/s43588-023-00563-7 · 2023 · External reference
10.1038/s41467-023-36823-3
10.1038/s41467-023-36823-3 · 2023 · External reference
10.1039/d5dd00283d
10.1039/d5dd00283d · 2025 · External reference
10.1039/d1sc01206a
10.1039/d1sc01206a · 2021 · External reference
Unresolved reference
2017 · External reference
10.1021/acs.jctc.2c00395
10.1021/acs.jctc.2c00395 · 2022 · External reference
10.1002/cpe.3505
10.1002/cpe.3505 · 2015 · External reference
Unresolved reference
External reference
10.5281/zenodo.591637
10.5281/zenodo.591637 · External reference
10.1103/physrevlett.97.170201
10.1103/physrevlett.97.170201 · 2006 · External reference
10.1016/j.commatsci.2020.109584
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10.52202/085713-4310 · External reference
10.1016/j.commatsci.2012.10.028
10.1016/j.commatsci.2012.10.028 · 2013 · External reference
Unresolved reference
External reference
10.1109/tpami.2004.75
10.1109/tpami.2004.75 · 2004 · External reference
10.1186/1758-2946-3-33
10.1186/1758-2946-3-33 · 2011 · External reference