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Category: Physical Chemistry

Bayesian Molecular Optimization for Accelerating Reverse Intersystem Crossing

, Authors: Taehyun Won, Naoya Aizawa, Yu Harabuchi, Reo Kurihara, Mitsuharu Suzuki, Satoshi Maeda, Yong-Jin Pu, Ken-ichi Nakayama

Version 1 posted 19 November 2024

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Category: Theoretical and Computational Chemistry

Computational Investigations of the Detailed Mechanism of Reverse Intersystem Crossing in Inverted Singlet-Triplet Gap Molecules

, Authors: Danillo Valverde, Cher Tian Ser, Gaetano Ricci, Kjell Jorner, Robert Pollice, Alan Aspuru-Guzik, Yoann Olivier

Version 1 posted 15 March 2024

633

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ISSN 2573-2293 (Online) ChemRxiv Archive

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