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Medium effects on the molecular electronic structure: Part 2. The application of the theory of medium effects in the framework of the CNDO and INDO methods

✍ Scribed by H. Hoshi; M. Sakurai; Y. Inoue; R. Chûjô

Book ID
119117007
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
873 KB
Volume
180
Category
Article
ISSN
0166-1280

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📜 SIMILAR VOLUMES

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 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 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