| Title | CALCULATED INFRARED INTENSITIES FOR THE BENDING MODE IN SOME SMALL LINEAR-MOLECULES |
| Publication Type | Journal Article |
| Year of Publication | 1993 |
| Authors | Chong, DP, Bree, AV |
| Journal | Chemical Physics Letters |
| Volume | 210 |
| Pagination | 443-447 |
| Date Published | Jul |
| Type of Article | Article |
| ISBN Number | 0009-2614 |
| Keywords | C2H2, CO2, DIPOLE-MOMENT DERIVATIVES |
| Abstract | Density functional theory was used to compute electric dipole moment derivatives along bending coordinates for the linear molecules HCN, DCN, FCN, ClCN, CO2, OCS, CS2, N2O, C2H2, C2D2 and C2N2. The infrared intensities obtained in this way are in better agreement with experimental values than provided by earlier calculations. |
| URL | <Go to ISI>://A1993LP03800024 |
