Molecular Simulation Analysis of Polyurethane Molecular Structure under External Electric Field

Polyurethane (PU) materials are extensively utilized in power equipment. This paper introduces a comprehensive evaluation method that combines electromagnetics and computational chemistry based on the Density Functional Theory (DFT) to elucidate the impact of external electric fields on the molecula...

Full description

Bibliographic Details
Main Authors: Zhiyi Pang, Shangshi Huang, Yi Li, Yiyi Zhang, Rui Qin
Format: Article
Language:English
Published: MDPI AG 2024-09-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/29/18/4329