Guadarrama, P. Soto-Castro, D. Rodriguez-Oter, J.

Performance of DFT hybrid functionals in the theoretical treatment of H-bonds: Analysis term-by-term. - 2008. - Vol. 108, no. 2, pp. 229-237. = International Journal of Quantum Chemistry


DFT
hybrid functional
H-bonds
host– guest complexes
exchangecorrelation