The Importance of Analysis of Vibronic-Mode Coupling Struc-ture in Vibrational Spectra of Supramolecular Aggregates of (CA*M) Cyanuric Acid (CA) and Melamine (M) beyond the Franck-Condon Approximation
Parameters such as FTIR and Raman vibrational wavelengths and intensities for single crystal supramolecular aggregates of (CA*M) cyanuric acid (CA) and melamine (M) are calculated using density functional theory and were compared with empirical results. The investigation about vibrational spectrum of cycle dimers in crystal with carboxyl groups from each molecule of acid was shown […]