Theoretical Insights into [NHC]Au(I) Catalyzed Hydroalkoxylation of Allenes: A Unified Reaction Valley Approach Study von Makoś, Małgorzata Z, Freindorf, Marek, Tao, Yunwen, Kraka, Elfi

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New insights into Fe–H 2 and Fe–H - bonding of a [NiFe] hydrogenase mimic: a local vibrational mode study von Makoś, Małgorzata Z, Freindorf, Marek, Sethio, Daniel, Kraka, Elfi

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Linear versus Bent Uranium(II) MetallocenesA Local Vibrational Mode Study von Peluzo, Bárbara M. T. C., Makoś, Małgorzata Z., Moura, Renaldo T., Freindorf, Marek, Kraka, Elfi

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Generative adversarial networks for transition state geometry prediction von Makoś, Małgorzata Z., Verma, Niraj, Larson, Eric C., Freindorf, Marek, Kraka, Elfi

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Synthesis, Isolation, and Study of Heterobimetallic Uranyl Crown Ether Complexes von Golwankar, Riddhi R., Ervin, Alexander C., Makoś, Małgorzata Z., Mikeska, Emily R., Glezakou, Vassiliki-Alexandra, Blakemore, James D.

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Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential von Zhang, Shuhao, Makoś, Małgorzata Z., Jadrich, Ryan B., Kraka, Elfi, Barros, Kipton, Nebgen, Benjamin T., Tretiak, Sergei, Isayev, Olexandr, Lubbers, Nicholas, Messerly, Richard A., Smith, Justin S.

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New insights into Fe–H$$_{2}$$ and Fe–H$$^{-}$$ bonding of a [NiFe] hydrogenase mimic: a local vibrational mode study von Makoś, Małgorzata Z., Freindorf, Marek, Sethio, Daniel, Kraka, Elfi

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New insights into Fe–H2 and Fe–H- bonding of a [NiFe] hydrogenase mimic: a local vibrational mode study von Makoś, Małgorzata Z., Freindorf, Marek, Sethio, Daniel, Kraka, Elfi

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