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Theoretical and Computational Chemistry

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Kateri DuBay

5 results in Authors: Kateri DuBay

Theoretical and Computational Chemistry

Emergent sequence biasing in step-growth copolymerization: influence of non-bonded interactions and comonomer reactivities

Nhu Nguyen, Ryan Hamblin, Kateri DuBay

Version 1 posted 09 June 2022

104

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Theoretical and Computational Chemistry

Atomistic simulations of dopamine diffusion dynamics on a pristine graphene surface

Qizhang Jia, Cheng Yang, B. Jill Venton, Kateri H. DuBay

Version 1 posted 22 October 2021

297

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Theoretical and Computational Chemistry

Selective solvent conditions influence sequence development and supramolecular assembly in step-growth copolymerization

Ryan Hamblin, Nhu Nguyen, Kateri DuBay

Version 1 posted 01 November 2021

206

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Theoretical and Computational Chemistry

Characteristic System Timescales Can Influence the Collective Sequence Development of Nematically Ordered Copolymers

Ryan Hamblin, Zhongmin Zhang, Kateri DuBay

Version 1 posted 08 May 2024

16

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Theoretical and Computational Chemistry

Structure and Dynamics of Adsorbed Dopamine on Solvated Carbon Nanotubes and in a CNT Groove

Qizhang Jia, B. Jill Venton, Kateri H. DuBay

Version 1 posted 04 May 2022

121

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1

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