| Title | {LOCAL-DENSITY CALCULATIONS OF STATIC DIELECTRIC-PROPERTIES OF CH4-NCLN |
| Publication Type | Journal Article |
| Year of Publication | 1994 |
| Authors | Chong, DP |
| Journal | Chemical Physics Letters |
| Volume | 217 |
| Pagination | 539-543 |
| Date Published | Jan |
| Type of Article | Article |
| ISBN Number | 0009-2614 |
| Keywords | BASIS-SETS, DIPOLE, FUNCTIONAL, HALOGENATED METHANES, HYPERPOLARIZABILITIES, IMPERFECT GASES, METHODS, MOLECULES, MOMENT DERIVATIVES, NONLINEAR OPTICAL-PROPERTIES, POLARIZABILITIES, PRESSURE VIRIAL-COEFFICIENTS |
| Abstract | {The dipole moments, dipole polarizabilities, and static hyperpolarizabilities of methane and the chloromethanes have been studied at the experimental geometry with the deMon density functional program. Using the local density approximation and large basis sets, we computed the dipole moments of CH4-nCln |
| URL | <Go to ISI>://A1994MV30100011 |
