Multiconfiguration Pair-Density Functional Theory Calculations of Iron(II) Porphyrin: Effects of Hybrid Pair-Density Functionals and Expanded RAS and DMRG Active Spaces on Spin-State Orderings
Stroscio, Gautam D., Zhou, Chen, Truhlar, Donald G., Gagliardi, Laura
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.06.2022)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.06.2022)
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Node Distortion as a Tunable Mechanism for Negative Thermal Expansion in Metal–Organic Frameworks
Chen, Zhihengyu, Stroscio, Gautam D., Liu, Jian, Lu, Zhiyong, Hupp, Joseph T., Gagliardi, Laura, Chapman, Karena W.
Published in Journal of the American Chemical Society (11.01.2023)
Published in Journal of the American Chemical Society (11.01.2023)
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Multireference Description of Nickel–Aryl Homolytic Bond Dissociation Processes in Photoredox Catalysis
Cagan, David A, Stroscio, Gautam D, Cusumano, Alexander Q, Hadt, Ryan G
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.12.2020)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.12.2020)
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Journal Article
Competitive Valerate Binding Enables RuO 2 -Mediated Butene Electrosynthesis in Water
Kunstelj, Špela, Darù, Andrea, Sauza-de la Vega, Arturo, Stroscio, Gautam D, Edwards, Emma, Papadopoulos, Ry, Gagliardi, Laura, Wuttig, Anna
Published in Journal of the American Chemical Society (31.07.2024)
Published in Journal of the American Chemical Society (31.07.2024)
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Journal Article
Harvesting Water from Air with High-Capacity, Stable Furan-Based Metal–Organic Frameworks
Alawadhi, Ali H., Chheda, Saumil, Stroscio, Gautam D., Rong, Zichao, Kurandina, Daria, Nguyen, Ha L., Rampal, Nakul, Zheng, Zhiling, Gagliardi, Laura, Yaghi, Omar M.
Published in Journal of the American Chemical Society (24.01.2024)
Published in Journal of the American Chemical Society (24.01.2024)
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A Porous Crystalline Nitrone‐Linked Covalent Organic Framework
Kurandina, Daria, Huang, Banruo, Xu, Wentao, Hanikel, Nikita, Darù, Andrea, Stroscio, Gautam D., Wang, Kaiyu, Gagliardi, Laura, Toste, F. Dean, Yaghi, Omar M.
Published in Angewandte Chemie International Edition (04.09.2023)
Published in Angewandte Chemie International Edition (04.09.2023)
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Journal Article
Competitive Valerate Binding Enables RuO2‑Mediated Butene Electrosynthesis in Water
Kunstelj, Špela, Darù, Andrea, Sauza-de la Vega, Arturo, Stroscio, Gautam D., Edwards, Emma, Papadopoulos, Ry, Gagliardi, Laura, Wuttig, Anna
Published in Journal of the American Chemical Society (31.07.2024)
Published in Journal of the American Chemical Society (31.07.2024)
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Journal Article
Multiconfiguration Pair-Density Functional Theory for Chromium(IV) Molecular Qubits
Sauza-de la Vega, Arturo, Pandharkar, Riddhish, Stroscio, Gautam D., Sarkar, Arup, Truhlar, Donald G., Gagliardi, Laura
Published in JACS Au (26.09.2022)
Published in JACS Au (26.09.2022)
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Journal Article
A Porous Crystalline Nitrone‐Linked Covalent Organic Framework
Kurandina, Daria, Huang, Banruo, Xu, Wentao, Hanikel, Nikita, Darù, Andrea, Stroscio, Gautam D., Wang, Kaiyu, Gagliardi, Laura, Toste, F. Dean, Yaghi, Omar M.
Published in Angewandte Chemie (04.09.2023)
Published in Angewandte Chemie (04.09.2023)
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Journal Article
Node Distortion as a Tunable Mechanism for Negative Thermal Expansion in Metal–Organic Frameworks
Chen, Zhihengyu, Stroscio, Gautam D., Liu, Jian, Lu, Zhiyong, Hupp, Joseph T., Gagliardi, Laura, Chapman, Karena W.
Published in Journal of the American Chemical Society (20.12.2022)
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Published in Journal of the American Chemical Society (20.12.2022)
Journal Article
A Porous Crystalline Nitrone-Linked Covalent Organic Framework
Kurandina, Daria, Huang, Banruo, Xu, Wentao, Hanikel, Nikita, Darù, Andrea, Stroscio, Gautam D., Wang, Kaiyu, Gagliardi, Laura, Toste, F. Dean, Yaghi, Omar M.
Published in Angewandte Chemie International Edition (13.07.2023)
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Published in Angewandte Chemie International Edition (13.07.2023)
Journal Article
Majorana Zero Modes Emulated in a Magnetic Molecule Chain
Hoffman, Silas, Yu, Jie-Xiang, Liu, Shuang-Long, Brantley, ChristiAnna, Stroscio, Gautam D, Hadt, Ryan G, Christou, George, Zhang, Xiao-Guang, Cheng, Hai-Ping
Year of Publication 22.10.2021
Year of Publication 22.10.2021
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