[149] Liquid structures of water, methanol, and hydrogen fluoride at ambient conditions from first principles molecular dynamics simulations with a dispersion corrected density functional

M.J. McGrath, I-F.W. Kuo, and J.I. Siepmann

Phys. Chem. Chem. Phys. 13, 19943-19950 (2011)

DOI: 10.1039/C1CP21890E
Liquid structures of water, methanol, and hydrogen fluoride at ambient conditions from first principles molecular dynamics simulations with a dispersion corrected density functional