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Interrupted Baeyer–Villiger Rearrangement: Building A Stereoelectronic Trap for the Criegee Intermediate
Vil', Vera A., dos Passos Gomes, Gabriel, Bityukov, Oleg V., Lyssenko, Konstantin A., Nikishin, Gennady I., Alabugin, Igor V., Terent'ev, Alexander O.
Published in Angewandte Chemie International Edition (19.03.2018)
Published in Angewandte Chemie International Edition (19.03.2018)
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Radical Alkyne peri‐Annulation Reactions for the Synthesis of Functionalized Phenalenes, Benzanthrenes, and Olympicene
Tsvetkov, Nikolay P., Gonzalez‐Rodriguez, Edgar, Hughes, Audrey, dos Passos Gomes, Gabriel, White, Frankie D., Kuriakose, Febin, Alabugin, Igor V.
Published in Angewandte Chemie International Edition (26.03.2018)
Published in Angewandte Chemie International Edition (26.03.2018)
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A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis
Gensch, Tobias, dos Passos Gomes, Gabriel, Friederich, Pascal, Peters, Ellyn, Gaudin, Théophile, Pollice, Robert, Jorner, Kjell, Nigam, AkshatKumar, Lindner-D’Addario, Michael, Sigman, Matthew S, Aspuru-Guzik, Alán
Published in Journal of the American Chemical Society (26.01.2022)
Published in Journal of the American Chemical Society (26.01.2022)
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On scientific understanding with artificial intelligence
Krenn, Mario, Pollice, Robert, Guo, Si Yue, Aldeghi, Matteo, Cervera-Lierta, Alba, Friederich, Pascal, Dos Passos Gomes, Gabriel, Häse, Florian, Jinich, Adrian, Nigam, AkshatKumar, Yao, Zhenpeng, Aspuru-Guzik, Alán
Published in Nature reviews physics (01.12.2022)
Published in Nature reviews physics (01.12.2022)
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Regioselective One‐Pot Synthesis of Triptycenes via Triple‐Cycloadditions of Arynes to Ynolates
Umezu, Satoshi, dos Passos Gomes, Gabriel, Yoshinaga, Tatsuro, Sakae, Mikei, Matsumoto, Kenji, Iwata, Takayuki, Alabugin, Igor, Shindo, Mitsuru
Published in Angewandte Chemie International Edition (24.01.2017)
Published in Angewandte Chemie International Edition (24.01.2017)
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Stereoelectronic Chameleons: The Donor–Acceptor Dichotomy of Functional Groups
Vatsadze, Sergey Z., Loginova, Yulia D., dos Passos Gomes, Gabriel, Alabugin, Igor V.
Published in Chemistry : a European journal (08.03.2017)
Published in Chemistry : a European journal (08.03.2017)
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Illuminating the dark conformational space of macrocycles using dominant rotors
Diaz, Diego B., Appavoo, Solomon D., Bogdanchikova, Anastasia F., Lebedev, Yury, McTiernan, Timothy J., dos Passos Gomes, Gabriel, Yudin, Andrei K.
Published in Nature chemistry (01.03.2021)
Published in Nature chemistry (01.03.2021)
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Orbital hybridization: a key electronic factor in control of structure and reactivity
Alabugin, Igor V., Bresch, Stefan, dos Passos Gomes, Gabriel
Published in Journal of physical organic chemistry (01.02.2015)
Published in Journal of physical organic chemistry (01.02.2015)
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Data-science driven autonomous process optimization
Christensen, Melodie, Yunker, Lars P. E., Adedeji, Folarin, Häse, Florian, Roch, Loïc M., Gensch, Tobias, dos Passos Gomes, Gabriel, Zepel, Tara, Sigman, Matthew S., Aspuru-Guzik, Alán, Hein, Jason E.
Published in Communications chemistry (02.08.2021)
Published in Communications chemistry (02.08.2021)
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Traceless Directing Groups in Radical Cascades: From Oligoalkynes to Fused Helicenes without Tethered Initiators
Pati, Kamalkishore, dos Passos Gomes, Gabriel, Harris, Trevor, Hughes, Audrey, Phan, Hoa, Banerjee, Tanmay, Hanson, Kenneth, Alabugin, Igor V
Published in Journal of the American Chemical Society (28.01.2015)
Published in Journal of the American Chemical Society (28.01.2015)
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Combining Traceless Directing Groups with Hybridization Control of Radical Reactivity: From Skipped Enynes to Defect-Free Hexagonal Frameworks
Pati, Kamalkishore, dos Passos Gomes, Gabriel, Alabugin, Igor V.
Published in Angewandte Chemie International Edition (12.09.2016)
Published in Angewandte Chemie International Edition (12.09.2016)
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Stereoelectronic Control in the Ozone‐Free Synthesis of Ozonides
dos Passos Gomes, Gabriel, Yaremenko, Ivan A., Radulov, Peter S., Novikov, Roman A., Chernyshev, Vladimir V., Korlyukov, Alexander A., Nikishin, Gennady I., Alabugin, Igor V., Terent'ev, Alexander O.
Published in Angewandte Chemie International Edition (24.04.2017)
Published in Angewandte Chemie International Edition (24.04.2017)
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Organocatalyzed synthesis of fluorinated poly(aryl thioethers)
Park, Nathaniel H., Gomes, Gabriel dos Passos, Fevre, Mareva, Jones, Gavin O., Alabugin, Igor V., Hedrick, James L.
Published in Nature communications (01.08.2017)
Published in Nature communications (01.08.2017)
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Optimizing Amine‐Mediated Alkyne–Allene Isomerization to Improve Benzannulation Cascades: Synergy between Theory and Experiments
dos Passos Gomes, Gabriel, Morrison, Alec E., Dudley, Gregory B., Alabugin, Igor V.
Published in European journal of organic chemistry (23.01.2019)
Published in European journal of organic chemistry (23.01.2019)
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Beyond generative models: superfast traversal, optimization, novelty, exploration and discovery (STONED) algorithm for molecules using SELFIES
Nigam, AkshatKumar, Pollice, Robert, Krenn, Mario, Gomes, Gabriel dos Passos, Aspuru-Guzik, Alán
Published in Chemical science (Cambridge) (20.04.2021)
Published in Chemical science (Cambridge) (20.04.2021)
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Data-Driven Strategies for Accelerated Materials Design
Pollice, Robert, dos Passos Gomes, Gabriel, Aldeghi, Matteo, Hickman, Riley J, Krenn, Mario, Lavigne, Cyrille, Lindner-D’Addario, Michael, Nigam, AkshatKumar, Ser, Cher Tian, Yao, Zhenpeng, Aspuru-Guzik, Alán
Published in Accounts of chemical research (16.02.2021)
Published in Accounts of chemical research (16.02.2021)
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Coupling N–H Deprotonation, C–H Activation, and Oxidation: Metal-Free C(sp3)–H Aminations with Unprotected Anilines
Evoniuk, Christopher J, Gomes, Gabriel dos Passos, Hill, Sean P, Fujita, Satoshi, Hanson, Kenneth, Alabugin, Igor V
Published in Journal of the American Chemical Society (15.11.2017)
Published in Journal of the American Chemical Society (15.11.2017)
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