Critical Evaluation of Reactive Force Fields for Vibrational Spectra: Case Study of Crystalline Cellulose Iβ
Author:
Affiliation:
1. Center for Engineering Concepts Development Department of Mechanical Engineering University of Maryland College Park 4298 Campus Drive, Glenn L. Martin Hall Room 2135 College Park MD, 20742 USA
Publisher
Wiley
Subject
General Chemical Engineering,General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/prep.202100376
Reference48 articles.
1. 3-Phonon Scattering Pathways for Vibrational Energy Transfer in Crystalline RDX
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3. M. Born K. Huang Dynamical Theory of Crystal Lattices Clarendon Press 1988.
4. Preparation and Characterization of Cellulose/RDX Composite Aerogel Spheres
5. Biomimetic-Inspired One-Step Strategy for Improvement of Interfacial Interactions in Cellulose Nanofibers by Modification of the Surface of Nitramine Explosives
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