Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of CX (X = O, N) Functionalities
Zhang, Guoqi, Wu, Jing, Zheng, Shengping, Neary, Michelle C, Mao, Jincheng, Flores, Marco, Trovitch, Ryan J, Dub, Pavel A
Published in Journal of the American Chemical Society (25.09.2019)
Published in Journal of the American Chemical Society (25.09.2019)
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Variational quantum eigensolver with reduced circuit complexity
Zhang, Yu, Cincio, Lukasz, Negre, Christian F. A., Czarnik, Piotr, Coles, Patrick J., Anisimov, Petr M., Mniszewski, Susan M., Tretiak, Sergei, Dub, Pavel A.
Published in npj quantum information (12.08.2022)
Published in npj quantum information (12.08.2022)
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Computing molecular excited states on a D-Wave quantum annealer
Teplukhin, Alexander, Kendrick, Brian K., Mniszewski, Susan M., Zhang, Yu, Kumar, Ashutosh, Negre, Christian F. A., Anisimov, Petr M., Tretiak, Sergei, Dub, Pavel A.
Published in Scientific reports (22.09.2021)
Published in Scientific reports (22.09.2021)
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Molecular dynamics on quantum annealers
Gaidai, Igor, Babikov, Dmitri, Teplukhin, Alexander, Kendrick, Brian K, Mniszewski, Susan M, Zhang, Yu, Tretiak, Sergei, Dub, Pavel A
Published in Scientific reports (07.10.2022)
Published in Scientific reports (07.10.2022)
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Reduction of the molecular hamiltonian matrix using quantum community detection
Mniszewski, Susan M, Dub, Pavel A, Tretiak, Sergei, Anisimov, Petr M, Zhang, Yu, Negre, Christian F A
Published in Scientific reports (18.02.2021)
Published in Scientific reports (18.02.2021)
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Journal Article
Markovnikov alcohols via epoxide hydroboration by molecular alkali metal catalysts
Zhang, Guoqi, Zeng, Haisu, Zheng, Shengping, Neary, Michelle C., Dub, Pavel A.
Published in iScience (21.10.2022)
Published in iScience (21.10.2022)
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A practical asymmetric conjugate addition to cyclic enones with chiral bifunctional Ru amido catalysts
Dub, Pavel A., Wang, Hui, Watanabe, Masahito, Gridnev, Ilya D., Ikariya, Takao
Published in Tetrahedron letters (04.07.2012)
Published in Tetrahedron letters (04.07.2012)
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C–F Bond Breaking through Aromatic Nucleophilic Substitution with a Hydroxo Ligand Mediated via Water Bifunctional Activation
Dub, Pavel A, Wang, Hui, Matsunami, Asuka, Gridnev, Ilya D, Kuwata, Shigeki, Ikariya, Takao
Published in Bulletin of the Chemical Society of Japan (15.05.2013)
Published in Bulletin of the Chemical Society of Japan (15.05.2013)
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Quantum Simulation of Molecular Electronic States with a Transcorrelated Hamiltonian: Higher Accuracy with Fewer Qubits
Kumar, Ashutosh, Asthana, Ayush, Masteran, Conner, Valeev, Edward F., Zhang, Yu, Cincio, Lukasz, Tretiak, Sergei, Dub, Pavel A.
Published in Journal of chemical theory and computation (13.09.2022)
Published in Journal of chemical theory and computation (13.09.2022)
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