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Excited states
Inverted singlet-triplet gaps
Organic Electronic Materials
Organic light-emitting diodes
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Gabriel Gomes
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December 10, 2020
December 10, 2020
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(45) R. Pollice, G. P. Gomes, M. Aldeghi, R. J. Hickman, M. Krenn, C. Lavigne, M. L. D’Addario, A. Nigam, C.-T. Ser, Z. Yao, A. Aspuru-Guzik “Data-driven Strategies for Materials Design”, submitted, 2020
December 9, 2020
December 9, 2020
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Publications
(44) M. Christensen, L. Yunker, F. Adedeji, F. Häse, L. Roch, T. Gensch, G. P. Gomes, T. Zepel, M. S. Sigman, A. Aspuru-Guzik, J. Hein “Data-science driven autonomous process optimization”, Preprint on ChemRxiV, 2020, doi.org/10.26434/chemrxiv.13146404
Autonomous process optimization involves the human intervention-free exploration of a range of pre-defined process parameters in order to improve responses such as reaction yield and product
[…]
December 8, 2020
December 8, 2020
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Publications
(43) R. Pollice, P. Friederich, C. Lavigne, G. P. Gomes, A. Aspuru-Guzik “Organic Molecules with Inverted Gaps between First Excited Singlet and Triplet States and Appreciable Oscillator Strengths”, Preprint on ChemRxiV, 2020, doi.org/10.26434/chemrxiv.13087319
• Patent Applied. https://chemrxiv.org/articles/preprint/Organic_Molecules_with_Inverted_Gaps_between_First_Excited_Singlet_and_Triplet_States_and_Appreciable_Fluorescence_Rates/13087319
November 11, 2020
November 11, 2020
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Publications
(42) H. S. Auhim, B. L. Grigorenko, T. Harris, I. V. Polyakov, G. P. Gomes, I. V. Alabugin, P. J. Rizkallah, A. V. Nemukhin, D. D. Jones “Stalling chromophore maturation of the fluorescent protein Venus reveals the molecular basis of the final oxidation step”, Preprint on bioRxiv, 2020, doi.org/10.1101/2020.10.13.337386
doi.org/10.1101/2020.10.13.337386
November 10, 2020
November 10, 2020
Categories
Publications
(41) C. Lavigne, G. P. Gomes‡, R. Pollice‡, A. Aspuru-Guzik “Automatic discovery of chemical reactions using imposed activation”, Preprint on ChemRxiV, 2020, doi.org/10.26434/chemrxiv.13008500.v1
doi.org/10.26434/chemrxiv.13008500.v1
September 10, 2020
September 10, 2020
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Publications
(40) G. P. Gomes‡, R. Pollice‡, A. Aspuru-Guzik “Navigating through the Maze of Homogeneous Catalyst Design with Machine Learning”, Preprint on ChemRxiV, 2020, doi.org/10.26434/chemrxiv.12786722.v1
doi.org/10.26434/chemrxiv.12786722.v1
August 10, 2020
August 10, 2020
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Publications
(39) S. Kaldas, C.-H. Tien, G. P. Gomes, S. Meyer, M. Sirvinskas, H. Foy, T. Dudding, A. K. Yudin “DABN Borazabicycles: Formation from MIDA Boronates and Their Synthetic Utility”, Preprint on ChemRxiV, 2020, doi.org/10.26434/chemrxiv.12605642.v1
doi.org/10.26434/chemrxiv.12605642.v1
July 10, 2020
July 10, 2020
Categories
Publications
(38) G. P. Gomes, G. Xu, X. Zhu, L.-M. Chamoreau, O. Bistri-Aslanoff, S. Roland, I. V. Alabugin, M. Sollogoub “Mapping C-H•••M interactions in confined spaces: (α-ICyDᴹᵉ)Au, Ag, Cu complexes reveal “contra-electrostatic H-bonds” masquerading as anagostic interactions”, Preprint on ChemRxiV, 2020, Version 1, doi: 10.26434/chemrxiv.12167916
doi: 10.26434/chemrxiv.12167916
June 10, 2020
June 10, 2020
Categories
Publications
(37) S. C. Davidson, G. P. Gomes, L. R. Kuhn, I. V. Alabugin, A. R. Kennedy, N. C. O. Tomkinson “Organocatalytic sulfoxidation”, Tetrahedron, 2020, doi: 10.1016/j.tet.2020.131784
doi: 10.1016/j.tet.2020.131784 Published ‡ = both authors contributed equally for this publication
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