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Materials Chemistry

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Organic Chemistry

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Theoretical and Computational Chemistry

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Gregory Beran

5 results in Authors: Gregory Beran

Theoretical and Computational Chemistry

Correcting pi-delocalization errors in conformational energies using density-corrected DFT, with application to crystal polymorphs

Bhaskar Rana, Gregory Beran, John Herbert

Version 1 posted 27 September 2022

482

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Materials Chemistry

Using Chemical Substitution to Engineer Photomechanical Cinnamalmalononitrile Crystals

Thomas J. Gately, Cody J. Perry, Sophie Weiss, Kevin Lam, Imadul Islam, Mohammed N. Almtiri, Veronica Carta, Gregory J. O. Beran, Rabih O. Al-Kaysi, Christopher J. Bardeen

Version 1 posted 22 July 2024

231

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Materials Chemistry

Light-Triggered Rolling and Unrolling of Molecular Crystal Microsheets

Pranay Ghate, Cody Perry, Veronica Carta, Ibraheem A. Bushnak, Yahya Almuallem, Gregory Beran, Rabih O. Al-Kaysi, Christopher J. Bardeen

Version 1 posted 09 July 2024

221

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Theoretical and Computational Chemistry

Spin-component-scaled and dispersion-corrected second-order Møller-Plesset perturbation theory: A path toward chemical accuracy

Chandler Greenwell, Jan Rezac, Gregory Beran

Version 1 posted 02 November 2021

386

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Theoretical and Computational Chemistry

Taming Tautomerism in Organic Crystal Structure Prediction

Cody Perry, Sebastian Ramos, Maria Phelps, Leonard Mueller, Gregory Beran

Version 1 posted 19 May 2025

158

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