𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Calculation of molecular dipole moments using CNDO and INDO methods

✍ Scribed by J.S. Yadav; P.C. Mishra; D.K. Rai

Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
205 KB
Volume
13
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Calculation of dipole moments of some he
Calculation of dipole moments of some heterocyclic molecules by the CNDO molecular orbital method
✍ N.S. Hush; J.R. Yandle πŸ“‚ Article πŸ“… 1967 πŸ› Elsevier Science 🌐 English βš– 189 KB

Dipole moments of furan, pyrrole, pyridine, pyrimidind and pyridazine have been calculated by the CNDO/II approximate SCF molecular orbital method, with experimental or assumed molecular geometry. The absolute vsiues are in good agreement with experimental data.

An application of the CNDO/2 and INDO th
An application of the CNDO/2 and INDO theories to the calculation of molecular quadrupole moments
✍ H. Meyer; A. Schweig πŸ“‚ Article πŸ“… 1971 πŸ› Elsevier Science 🌐 English βš– 264 KB

Values of molecular quadrupole moments are calculated using the CNDO/2 and INDO methods and compared with experiment and other calcuiations. Tbe agreement is good, except for ii systems both lineax and planar. Consideration of tbls disagreement suggests that use of RAO's which are less compressed pe