| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 10564663 | Vibrational Spectroscopy | 2005 | 9 Pages |
Abstract
The vibrational wavenumbers and force constants were calculated for the formic acid as monomer, cyclic dimer and open dimer, using DFT techniques. The existing experimental data and assignments for the monomer and cyclic dimer were confirmed by the theoretical results. These data were subsequently used in the definition of scaled quantum mechanics force fields for the three chemical species.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
L.E. Fernández, A.C. Gómez Marigliano, E.L. Varetti,