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5 results in Authors: Danillo Valverde

Materials Chemistry

Computational Design of Multiple Resonance–Type BN Molecules for Inverted Singlet and Triplet Excited States

Yong-Jin Pu, Danillo Valverde, Juan-Carlos Sancho-García, Yoann Olivier

Version 1 posted 05 September 2023

446

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Theoretical and Computational Chemistry

Can SCF and ROKS DFT methods predict inverted singlet-triplet gap?: Benchmarking and rationalization

Danillo Valverde, Gaetano Ricci, Juan Carlos Sancho García, David Beljonne, Yoann Olivier

Version 1 posted 04 November 2024

150

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Materials Chemistry

Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes

Elena Zender, Danillo Valverde, Robert Neubaur, Sebastian Karger, Alexander Virovets, Michael Bolte, Hans-Wolfram Lerner, Matthias Wagner, Yoann Olivier

Version 2 posted 25 April 2024

527

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Physical Chemistry

Factors Controlling Cage Escape Yields of Closed and Open Shell Metal Complexes in Bimolecular Photoinduced Electron Transfer

Alexia Ripak, Ana Karem Vega Salgado, Danillo Valverde, Silvia Cristofaro, Alban de Gary, Yoann Olivier, Benjamin Elias, Ludovic Troian-Gautier

Version 1 posted 17 June 2024

242

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Theoretical and Computational Chemistry

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

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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