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

  • Tan Trung Truong*, Thi Ngan Nguyen, Thi Thu Thuy Le, Ngoc Huong Nguyen
  • Phuong Dong Nguyen

Abstract

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

Tác giả

Tan Trung Truong*, Thi Ngan Nguyen, Thi Thu Thuy Le, Ngoc Huong Nguyen

Dong Nai Technology University, 5 Nguyen Khuyen Street, Trang Dai Ward, Bien Hoa City, Dong Nai Province, Vietnam

Phuong Dong Nguyen

Department of Chemistry, Soongsil University, 369 Sangdo-ro, Dongjak-gu, Seoul, Korea

điểm /   đánh giá
Published
2023-06-15
Issue
No. 2C (2023): JUNE 2023 . VOLUME 65 NUMBER 2
Section
PHYSICAL SCIENCES