Small clusters of formic acid: Tests and applications of density functional theory with dispersion-correcting potentials

Dispersion-correcting potentials were proposed as a means to overcome the difficulties that conventional density functionals have in dealing correctly with noncovalent interactions. The procedure is tested and found to be quite successful for low-energy formic acid trimers and tetramers. It is then applied to reexamine formic acid pentamers. (C) 2013 Elsevier B.V. All rights reserved.