Density functional theory studies on molecular structure, vibrational spectra, AIM, HOMO-LUMO, electronic properties, and NBO analysis of benzoic acid monomer and dimer

• Tác giả: Huong Nguyen Ngoc, Dong Nguyen Phuong, Trung Truong Tan, Ngan Nguyen Thi, Thu Thuy Le Thi
• Ngôn ngữ: eng
• Thông tin xuất bản: Vietnam Journal of Science, Technology and Engineering - C, 2023
• Mô tả vật lý: tr.3
• Bộ sưu tập: Metadata
• ID: 340137

Tóm tắt

In this study, the molecular structure, vibrational frequencies, and atom-in-molecule (AIM) analysis of the benzoic acid monomer and dimer were investigated...