Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For
CNN : CNN Radical Collection of spectroscopic data: vibrational frequencies, rotational constants, electronic energies, and enthalpies of formation. Calculation of thermodynamic properties as a func
ABSTRACT L-menthol is an essential oil produced from Mentha arvensis. An experimental L-menthol solid-liquid equilibrium in menthol oil constituents was determined in the temperature range between 271