Force field calculation of molecules with isotopomers of different symmetries in vibrational spectral analysis
β Scribed by Devesh Ragubanshi; Shruti Maheshwary; Sadasivam Manogaran
- Book ID
- 114141725
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 200 KB
- Volume
- 574
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Ah&net-A general procedure is described for vibrational analysis, using an ab initio force constant matrix which is transformed into the generalized valence force field. A method using numerical least-square fitting and redundancy elimination is proposed to determine the valence-symmetry coordi
The (6 and iF matrices in the molecular vibration problem, the secular matrix in Hiickel calculation including some nonneighbor interactions, and the Fock matrices at any stage of iteration in the Parker-Parr-Pople (PPP) calculations on cis-and trans-butadiene, benzene, and s-triaminobenzene systems