✦ LIBER ✦
Use of electron-density contours from FSGO model wavefunctions: nonbonded radius of atoms and molecular anisotropy of the plarizability for some diatomic systems
✍ Scribed by N.K. Ray; Shobha Bhargava
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 181 KB
- Volume
- 64
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Electron density contours (O-002 XI) obtained from FSGO model warefuncticns are used to estunate "naturally partitioned" length (L,) and width <Wp). The quamity ,5.,/W, -1 is shoa n to be proportion& to experimental molecular anisotropy (K) of polarizability. Predicted ili'l mlues xe used to estimate lcr,, -ali for a series of diatoms_