© 2014, Springer-Verlag Berlin Heidelberg. Density functional theory (DFT) calculations have been used to investigate the structural properties, dipole moments, polarizabilities, Gibbs energies, hardness, electronegativity, ...

© 2019 Elsevier B.V. In the present work a thermochemistry of solution and solvation of mono- and di-substituted chloro- and nitrobenzenes in binary mixtures was studied. The infinite dilution solution enthalpies of ...