Effective dipole-moment operator for nonrigid H2X-type molecules. Application to H2O; Journal of Molecular Structure; Vol. 271, № 1-2
| Parent link: | Journal of Molecular Structure.— , 1957- Vol. 271, № 1-2.— 1992.— [P. 119–131] |
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| Sammanfattning: | Title screen A theory of the transformed dipole moment operator for nonrigid H2X-type molecules has been worked out using the method of contact transformation. The treatment takes into account the large amplitude bending motion, which is described by the coordinate ℮. Formulae obtained for the transformed dipole moment operator for bending vibration quantum bands and for combination bands have been used for the determination of the functions µex(℮), µ1x(℮) and µ3z(℮) from the expansion of the molecular fixed component µa(℮, q) (a = x, y, z) of the electric dipole moment of the H2O molecule over q normal coordinates. Some different model forms for this function have been used. Режим доступа: по договору с организацией-держателем ресурса |
| Språk: | engelska |
| Publicerad: |
1992
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| Länkar: | http://dx.doi.org/10.1016/0022-2860(92)80215-4 |
| Materialtyp: | Elektronisk Bokavsnitt |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=642592 |
| Sammanfattning: | Title screen A theory of the transformed dipole moment operator for nonrigid H2X-type molecules has been worked out using the method of contact transformation. The treatment takes into account the large amplitude bending motion, which is described by the coordinate ℮. Formulae obtained for the transformed dipole moment operator for bending vibration quantum bands and for combination bands have been used for the determination of the functions µex(℮), µ1x(℮) and µ3z(℮) from the expansion of the molecular fixed component µa(℮, q) (a = x, y, z) of the electric dipole moment of the H2O molecule over q normal coordinates. Some different model forms for this function have been used. Режим доступа: по договору с организацией-держателем ресурса |
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| DOI: | 10.1016/0022-2860(92)80215-4 |