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Lattice-guided assembly of optoelectronically-active π-conjugated peptides on 1D van der Waals single crystals

Ze-Fan Yao, Dmitri Leo Cordova, Griffin Milligan, Diana Lopez, Steven Allison, Yuyao Kuang, Herdeline Ardona, Maxx Arguilla

Version 1 posted 09 October 2023

375

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Organic Chemistry

Working Paper

Cyclobutane-linked Nanothreads through Thermal and Photochemically Mediated Polymerization of Cyclohexadiene

Morgan Murphy, Bohan Xu, Katie Rank, Sikai Wu, Steven Huss, John Badding, Steven Lopez, Vincent Crespi, Elizabeth Elacqua

Version 1 posted 19 July 2024

252

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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

644

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1

Citations

Organic Chemistry

Working Paper

Multiconfigurational Dynamics Explain Photochemical Reactivity and Torquoselectivity Towards Fluorinated Polyacetylenes

Jordan Cox, Steven Lopez

Version 2 posted 01 June 2020

577

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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

442

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Theoretical and Computational Chemistry

Working Paper

Benchmarking of Density Functionals for Z-Azoarene Half-Lives via Automated Transition State Search

Daniel Adrion, Danil Kaliakin, Patrick Neal, Steven Lopez

Version 1 posted 18 February 2021

401

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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

896

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Organic Chemistry

Working Paper

Experimental and Theoretical Elucidation of SPAAC Kinetics for Strained Alkyne-Containing Cycloparaphenylenes

Julia Fehr, Nathalie Myrthil, Anna Garrison, Tavis Price, Steven Lopez, Ramesh Jasti

Version 1 posted 14 December 2022

414

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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

434

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Catalysis

Working Paper

Understanding hydrogen electrocatalysis by probing the hydrogen-bond network of water at the electrified Pt/solution interface

Qiang Sun, Nicholas Oliveira, Sergiy Tyukhtenko, Jason Guo, Nathalie Myrthil, Steven Lopez, Ian Kendrick, Sanjeev Mukerjee, Lu Ma, Steven Ehrlich, Jingkun Li, Yushan Yan, Qingying Jia, William A. Goddard III, Soonho Kwon

Version 2 posted 28 April 2023

1,381

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26 results in Steven Lopez in Authors: Steven Lopez

Lattice-guided assembly of optoelectronically-active π-conjugated peptides on 1D van der Waals single crystals

Cyclobutane-linked Nanothreads through Thermal and Photochemically Mediated Polymerization of Cyclohexadiene

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

Multiconfigurational Dynamics Explain Photochemical Reactivity and Torquoselectivity Towards Fluorinated Polyacetylenes

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

Benchmarking of Density Functionals for Z-Azoarene Half-Lives via Automated Transition State Search

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

Experimental and Theoretical Elucidation of SPAAC Kinetics for Strained Alkyne-Containing Cycloparaphenylenes

Multiconfigurational calculations and photodynamics describe norbornadiene photochemistry

Understanding hydrogen electrocatalysis by probing the hydrogen-bond network of water at the electrified Pt/solution interface

26 results in Authors: Steven Lopez