Considerations on Characteristic of Water/Alcohol Solvents and Their Binary Mixtures with Improved Atomic Charges in Dreiding Forcefield

Author:

Zhuang Chen,Ji Haoli,Xu Antian,Chai Muyuan

Publisher

Elsevier BV

Reference42 articles.

1. Dreiding: A Generic Force Field for Molecular Simulations;S L Mayo;Journal of Physical Chemistry,1990

2. Molecular Dynamics Simulation of Amorphous Polyethylene (Pe) Under Cyclic Tensile-Compressive Loading Below the Glass Transition Temperature;Q Bao;Polymer,2020

3. Interfacial Effects of Nitrogen-Doped Carbon Nanotubes On Mechanical and Thermal Properties of Nanocomposites: A Molecular Dynamics Study;H K Choi;Composites Part B: Engineering,2019

4. Simulation of Mechanical Parameters of Graphene Using the Dreiding Force Field;S N Korobeynikov;Acta Mech,2018

5. Pepdroid: Development of a Generic Dreiding-Based Force Field for the Assessment of Peptoid Secondary Structures;S Hoyas;Adv. Theory Simul,2018

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