Inelastic neutron scattering (INS) is a spectroscopic technique in which neutrons are used to
probe the dynamics of atoms and molecules in solids and liquids. This book is the first, since …

The vibrational spectra of monomeric diazines (pyrazine, pyrimidine and pyridazine)
isolated in solid argon and of the neat crystalline phase of these compounds, at 10K, are …

Anharmonic force fields and vibrational spectra of the azabenzene series (pyridine,
pyridazine, pyrimidine, pyrazine, s-triazine, 1, 2, 3-triazine, 1, 2, 4-triazine, and s-tetrazine) …

The calculated structures of furan as a monomer, a dimer that was isolated from the crystal
structure, and the full crystal structure have been thoroughly investigated by a combination …

Density functional theory B3LYP is employed to obtain the optimized geometries of the
ground state and interaction energy for triazines and water complexes. The results show that …

The effect of ten chosen Density Functional Theory (DFT) methods at various basis sets for
predicting the molecular structure, vibrational frequencies and infrared intensities of …