【刊名】Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
【作者单位】1Department of Physics, Taiyuan Normal University, Jinzhong 030619, China;2Institute of Computational and Applied Physics, Taiyuan Normal University, Jinzhong 030619, China;3Zhejiang Laboratory, Hangzhou 311100, China;4School of Materials Science and Engineering, Taizhou University, Taizhou 318000, China
【年份】2024
【卷号】Vol.321
【页码】124764
【ISSN】1386-1425
【摘要】 The vibrational and thermodynamic properties of energetic materials are critical to understand their structure responses at finite temperature. In this work, the zero-point energy and temperature effects are incorporated into dispersion-corrected de...
