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Theoretical and Computational Chemistry

Working Paper

Navigating through the Maze of Homogeneous Catalyst Design with Machine Learning

Gabriel dos Passos Gomes, Robert Pollice, Alan Aspuru-Guzik

Version 1 posted 12 August 2020

2,412

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Organic Chemistry

Working Paper

DABN Borazabicycles: Formation from MIDA Boronates and Synthetic Utility

Sherif James Kaldas, chieh-hung tien, Gabriel dos Passos Gomes, Stephanie Meyer, martynas sirvinskas, Hayden Foy, Travis Dudding, Andrei Yudin

Version 1 posted 07 July 2020

698

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1

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Organometallic Chemistry

Working Paper

Machine Learning Reactivity in the Chemical Space Surrounding Vaska's Complex

Pascal Friederich, Gabriel dos Passos Gomes, Riccardo De Bin, Alan Aspuru-Guzik, David Balcells

Version 1 posted 27 November 2019

1,651

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Organic Chemistry

Working Paper

Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne peri-Annulations: Radical Cascades Converging on the Same Aromatic Core

Edgar Gonzalez-Rodriguez, Miguel A. Abdo, Gabriel dos Passos Gomes, Suliman Ayad, Frankie D. White, Nikolay P. Tsvetkov, Kenneth Hanson, Igor Alabugin

Version 1 posted 19 February 2020

663

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Organic Chemistry

Working Paper

CO2 or SO2: Should It Stay or Should It Go?

Gabriel dos Passos Gomes, Alexander Wimmer, Joel Smith, Burkhard König, Igor Alabugin

Version 2 posted 21 February 2019

1,298

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1

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Organic Chemistry

Working Paper

Mapping C−H•••M interactions in confined spaces: (α-ICyDᴹᵉ)Au, Ag, Cu complexes reveal “contra-electrostatic H-bonds” masquerading as anagostic interactions

Gabriel dos Passos Gomes, Guangcan Xu, Xiaolei Zhu, Lise-Marie Chamoreau, Yongmin Zhang, Olivia Bistri Aslanoff, Sylvain Roland, Igor Alabugin, Matthieu Sollogoub

Version 2 posted 28 April 2020

1,510

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Materials Science

Working Paper

Organic Molecules with Inverted Gaps between First Excited Singlet and Triplet States and Appreciable Fluorescence Rates

Robert Pollice, Pascal Friederich, Cyrille Lavigne, Gabriel dos Passos Gomes, Alan Aspuru-Guzik

Version 1 posted 29 October 2020

2,157

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2

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Theoretical and Computational Chemistry

Working Paper

Data-science driven autonomous process optimization

Melodie Christensen, Lars Yunker, Folarin Adedeji, Florian Häse, Loic Roch, Tobias Gensch, Gabriel dos Passos Gomes, Tara Zepel, Matthew Sigman, Alan Aspuru-Guzik, Jason Hein

Version 2 posted 03 November 2020

2,379

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4

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Organic Chemistry

Working Paper

Diverting Radical-Anionic C-H Amidation to a C-N/C-O Cascade for the Construction of Hydroxyisoindolines from Unprotected Amides

Quintin Elliott, Gabriel dos Passos Gomes, Christopher Evoniuk, Igor Alabugin

Version 1 posted 06 September 2019

855

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Organic Chemistry

Working Paper

Isonitriles as Stereoelectronic Chameleons: The Donor-Acceptor Dichotomy in Radical Additions

Gabriel dos Passos Gomes, Yulia Loginova, Sergei Vatsadze, Igor Alabugin

Version 1 posted 20 August 2018

1,248

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Refine Search

13 results in Gabriel dos Passos Gomes in Authors: Gabriel dos Passos Gomes

Navigating through the Maze of Homogeneous Catalyst Design with Machine Learning

DABN Borazabicycles: Formation from MIDA Boronates and Synthetic Utility

Machine Learning Reactivity in the Chemical Space Surrounding Vaska's Complex

Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne peri-Annulations: Radical Cascades Converging on the Same Aromatic Core

CO2 or SO2: Should It Stay or Should It Go?

Mapping C−H•••M interactions in confined spaces: (α-ICyDᴹᵉ)Au, Ag, Cu complexes reveal “contra-electrostatic H-bonds” masquerading as anagostic interactions

Organic Molecules with Inverted Gaps between First Excited Singlet and Triplet States and Appreciable Fluorescence Rates

Data-science driven autonomous process optimization

Diverting Radical-Anionic C-H Amidation to a C-N/C-O Cascade for the Construction of Hydroxyisoindolines from Unprotected Amides

Isonitriles as Stereoelectronic Chameleons: The Donor-Acceptor Dichotomy in Radical Additions

13 results in Authors: Gabriel dos Passos Gomes