Pauling, Linus and Herman, Zelek S. and Kamb, Barclay J. (1982) Reliability of the pair-defect-sum approximation for the strength of valence-bond orbitals. Proceedings of the National Academy of Sciences of the United States of America, 79 (4). pp. 1361-1365. ISSN 0027-8424. doi:10.1073/pnas.79.4.1361. https://resolver.caltech.edu/CaltechAUTHORS:PAUpnas82
![[img]](https://authors.library.caltech.edu/style/images/fileicons/application_pdf.png)
|
PDF
See Usage Policy. 780kB |
Use this Persistent URL to link to this item: https://resolver.caltech.edu/CaltechAUTHORS:PAUpnas82
Abstract
The pair-defect-sum approximation to the bond strength of a hybrid orbital (angular wave functions only) is compared to the rigorous value as a function of bond angle for seven types of bonding situations, with between three and eight bond directions equivalent by geometrical symmetry operations and with only one independent bond angle. The approximation is seen to be an excellent one in all cases, and the results provide a rationale for the application of this approximation to a variety of problems.
| Item Type: | Article | |||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Related URLs: |
| |||||||||||||||
| Additional Information: | Copyright © 1982 by the National Academy of Sciences. Contributed by Linus Pauling, November 2, 1981. We thank Joan Engels for her assistance in drawing the figures and Dr. Dale Spangler for illuminating discussions. This investigation was supported by a grant from the National Science Foundation. The publication costs of this article were defrayed in part by page charge payment. This article must therefore be hereby marked "advertisement" in accordance with 18 U. S. C. §1734 solely to indicate this fact. | |||||||||||||||
| Subject Keywords: | transition metals, lanthanides, actinides, spd hybrid orbitals, spdf hybrid orbitals | |||||||||||||||
| Issue or Number: | 4 | |||||||||||||||
| DOI: | 10.1073/pnas.79.4.1361 | |||||||||||||||
| Record Number: | CaltechAUTHORS:PAUpnas82 | |||||||||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:PAUpnas82 | |||||||||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | |||||||||||||||
| ID Code: | 1397 | |||||||||||||||
| Collection: | CaltechAUTHORS | |||||||||||||||
| Deposited By: | Tony Diaz | |||||||||||||||
| Deposited On: | 17 Jan 2006 | |||||||||||||||
| Last Modified: | 08 Nov 2021 19:10 |
Repository Staff Only: item control page
