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Theoretical and Computational Chemistry

Working Paper

Machine learned calibrations to high-throughput molecular excited state calculations

Shomik Verma, Miguel Rivera, David O. Scanlon, Aron Walsh

Version 2 posted 01 March 2022

573

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Theoretical and Computational Chemistry

Working Paper

ONIOM(QM:QM') Electrostatic Embedding Schemes for Photochemistry in Molecular Crystals

Miguel Rivera, Michael Dommett, Rachel Crespo Otero

Version 1 posted 21 November 2018

666

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Theoretical and Computational Chemistry

Working Paper

Fromage: A Library for the Study of Molecular Crystal Excited States at the Aggregate Scale

Miguel Rivera, Michael Dommett, Amir Sidat, Warda Rahim, Rachel Crespo Otero

Version 1 posted 10 September 2019

657

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Materials Science

Working Paper

The role of conical intersections on the efficiency of fluorescent organic molecular crystals

Miguel Rivera, Ljiljana Stojanovic, Rachel Crespo Otero

Version 2 posted 14 December 2020

980

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Physical Chemistry

Working Paper

Molecular and Crystalline Requirements for Solid State Fluorescence Exploiting Excited State Intramolecular Proton Transfer

Michael Dommett, Miguel Rivera, Matthew T. H. Smith, Rachel Crespo Otero

Version 1 posted 18 June 2019

615

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Theoretical and Computational Chemistry

Working Paper

Models of Polaron Transport in Inorganic and Hybrid Organic-Inorganic Titanium Oxides

Kazuki Morita, Matthias Golomb, Miguel Rivera, Aron Walsh

Version 2 posted 06 April 2023

271

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Chemical Education

Review

Digital Skills in Chemical Education

Andrew McCluskey, Miguel Rivera, Antonia Mey

Version 1 posted 03 June 2024

322

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Refine Search

7 results in Miguel Rivera in Authors: Miguel Rivera

Machine learned calibrations to high-throughput molecular excited state calculations

ONIOM(QM:QM') Electrostatic Embedding Schemes for Photochemistry in Molecular Crystals

Fromage: A Library for the Study of Molecular Crystal Excited States at the Aggregate Scale

The role of conical intersections on the efficiency of fluorescent organic molecular crystals

Molecular and Crystalline Requirements for Solid State Fluorescence Exploiting Excited State Intramolecular Proton Transfer

Models of Polaron Transport in Inorganic and Hybrid Organic-Inorganic Titanium Oxides

Digital Skills in Chemical Education

7 results in Authors: Miguel Rivera