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Materials Science

Working Paper

Molecular Recognition and Band Alignment in 3-D Covalent Organic Frameworks for Co-Crystalline Organic Photovoltaics

Jordan M Cox, Bradley Mileson, Ananthan Sadagopan, Steven Lopez

Version 2 posted 24 March 2020

1,134

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Organic Chemistry

Working Paper

Design rules for optimization of photophysical and kinetic properties of azoarene photoswitches

Daniel Adrion, Steven Lopez

Version 1 posted 27 April 2023

323

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Organic Chemistry

Working Paper

Multiconfigurational calculations and photodynamics describe norbornadiene photochemistry

Federico Hernandez, Jordan Cox, Jingbai Li, Rachel Crespo-Otero, Steven Lopez

Version 2 posted 23 November 2022

489

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Organic Chemistry

Working Paper

Machine learning photodynamics reveals the role of solvent and pressure on the [2+2]- cycloadditions toward cubanes

Jingbai Li, Steven Lopez

Version 1 posted 22 September 2023

369

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Theoretical and Computational Chemistry

Working Paper

Machine learning photodynamics beyond the Frenkel exciton model: Intermolecular vibrations trigger ultrafast singlet fission in pentacene crystal

Zhendong Li, Federico Hernández, Christian Salguero, Steven Lopez, Rachel Crespo-Otero, Jingbai Li

Version 1 posted 22 April 2024

464

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Organic Chemistry

Working Paper

Mechanochemical Synthesis of Elusive Fluorinated Polyacetylene

Benjamin R. Boswell, Carl M. F. Mansson, Jordan M Cox, Zexin Jin, Joseph A. H. Romaniuk, Kurt P. Lindquist, Lynette Cegelski, Yan Xia, Steven Lopez, Noah Z. Burns

Version 1 posted 13 December 2019

1,645

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Virtual Excited State Reference for the Discovery of Electronic Materials Database (VERDE Materials DB): An Open-Access Resource for Ground and Excited State Properties of Organic Molecules

Biruk Abreha, Snigdha Agarwal, Ian Foster, Ben Blaiszik, Steven Lopez

Version 2 posted 16 October 2019

937

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Organic Chemistry

Working Paper

Nucleophilic Substitution Reactions of Cyclic Thiosulfinates Are Accelerated by Hyperconjugative Interactions

Daniel Donnelly, Jeffrey Agar, Steven Lopez

Version 1 posted 25 April 2019

429

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Organic Chemistry

Working Paper

Multiconfigurational Static and Dynamic Calculations Explain Tricyclo[4,2,0,02,5]octa-3,7-diene Photochemistry

Jingbai Li, Steven Lopez

Version 1 posted 01 June 2020

501

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Theoretical and Computational Chemistry

Working Paper

Nanosecond Photodynamics Simulations of a Cis-Trans Isomerization Are Enabled by Machine Learning

Jingbai Li, Patrick Reiser, André Eberhard, Pascal Friederich, Steven Lopez

Version 1 posted 05 October 2020

718

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1

Citations

Refine Search

26 results in Steven Lopez in Authors: Steven Lopez

Molecular Recognition and Band Alignment in 3-D Covalent Organic Frameworks for Co-Crystalline Organic Photovoltaics

Design rules for optimization of photophysical and kinetic properties of azoarene photoswitches

Multiconfigurational calculations and photodynamics describe norbornadiene photochemistry

Machine learning photodynamics reveals the role of solvent and pressure on the [2+2]- cycloadditions toward cubanes

Machine learning photodynamics beyond the Frenkel exciton model: Intermolecular vibrations trigger ultrafast singlet fission in pentacene crystal

Mechanochemical Synthesis of Elusive Fluorinated Polyacetylene

Virtual Excited State Reference for the Discovery of Electronic Materials Database (VERDE Materials DB): An Open-Access Resource for Ground and Excited State Properties of Organic Molecules

Nucleophilic Substitution Reactions of Cyclic Thiosulfinates Are Accelerated by Hyperconjugative Interactions

Multiconfigurational Static and Dynamic Calculations Explain Tricyclo[4,2,0,02,5]octa-3,7-diene Photochemistry

Nanosecond Photodynamics Simulations of a Cis-Trans Isomerization Are Enabled by Machine Learning

26 results in Authors: Steven Lopez