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Impact of Stereo- and Regiochemistry on Energetic Materials

Lisa M. Barton, Jacob T. Edwards, Eric C. Johnson, Eric J. Bukowski, Rosario C. Sausa, Edward F. C. Byrd, Joshua A. Orlicki, Jesse J. Sabatini, Phil Baran

Version 1 posted 04 July 2019

1,892

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Physical Chemistry

Working Paper

Reaction Kinetics of Complex Molecular Strains: The Efficiency of Mechanochemistry Under a Constant Total Energy

Brenden W. Hamilton, Edward Kober, Timothy C Germann

Version 1 posted 19 June 2023

203

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1

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Physical Chemistry

Working Paper

Revealing the thermal decomposition mechanism of RDX crystal by a neural network potential

Qingzhao Chu, Xiaoya Chang, Kang Ma, Xiaolong Fu, Dongping Chen

Version 1 posted 23 August 2022

366

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Theoretical and Computational Chemistry

Working Paper

Applying Machine Learning Techniques to Predict the Properties of Energetic Materials

Daniel Elton, Zois Boukouvalas, Mark S. Butrico, Mark D. Fuge, Peter W. Chung

Version 2 posted 16 February 2018

1,533

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1

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Materials Science

Working Paper

Hypergolic Zeolitic Imidazolate Frameworks (ZIFs) as Next-Generation Solid Fuels: Unlocking the Latent Energetic Behavior of ZIFs

Tomislav Friscic, Hatem M. Titi, Mihails Arhangelskis, Dayaker Gandrath, Cristina Mottillo, Andrew Morris, Robin Rogers, Joseph Marrett, Giovanni Rachiero

Version 1 posted 30 October 2018

716

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Materials Chemistry

Working Paper

Crystal Structure Prediction of Energetic Materials

Joseph E. Arnold, Graeme M. Day

Version 1 posted 13 June 2023

309

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Theoretical and Computational Chemistry

Working Paper

Machine Learned Prediction of Reaction Template Applicability for Data-Driven Retrosynthetic Predictions of Energetic Materials

Michael Fortunato, Connor W. Coley, Brian Barnes, Klavs F. Jensen

Version 1 posted 31 March 2020

783

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1

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Physical Chemistry

Working Paper

Mode-Selective Vibrational Energy Transfer Dynamics in 1,3,5-Trinitroperhydro-1,3,5-Triazine (RDX) Thin Films

Neil Cole-Filipiak, Robert Knepper, Mitchell A. Wood, Krupa Ramasesha

Version 1 posted 31 May 2021

341

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8 results in Energetic materials in Keywords: Energetic materials

Impact of Stereo- and Regiochemistry on Energetic Materials

Reaction Kinetics of Complex Molecular Strains: The Efficiency of Mechanochemistry Under a Constant Total Energy

Revealing the thermal decomposition mechanism of RDX crystal by a neural network potential

Applying Machine Learning Techniques to Predict the Properties of Energetic Materials

Hypergolic Zeolitic Imidazolate Frameworks (ZIFs) as Next-Generation Solid Fuels: Unlocking the Latent Energetic Behavior of ZIFs

Crystal Structure Prediction of Energetic Materials

Machine Learned Prediction of Reaction Template Applicability for Data-Driven Retrosynthetic Predictions of Energetic Materials

Mode-Selective Vibrational Energy Transfer Dynamics in 1,3,5-Trinitroperhydro-1,3,5-Triazine (RDX) Thin Films

8 results in Keywords: Energetic materials