Quantum theory calculations (DFT method) of hydrogen-bond charge transfer complex derived from p-phenylenediamine and picric acid to understand the molecular structure from various thermodynamic, electronic, and spectroscopic aspects

Journal of Molecular Modeling 2026

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Authors: Vahideh Hadigheh Rezvan, Samaneh Barani Pour, Nasrin Jabbarvand Behrooz, Morteza Mohammad Sadeghi, Jaber Jahanbin Sardroodi

DOI: 10.1007/s00894-025-06618-y

Cited by: 2

References: 45

Fields of Study & Subjects

Nonlinear Optical Materials Research Photochemistry and Electron Transfer Studies Organic Light-Emitting Diodes Research

References 45