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Interpretation of ESCA chemical shifts using minimal slater basis set calculations

✍ Scribed by D.T. Clark; D.B. Adams

Book ID
103736281
Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
361 KB
Volume
1
Category
Article
ISSN
0368-2048

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Thermochemical interpretation of ESCA ch
Thermochemical interpretation of ESCA chemical shifts using semi-empirical molecular orbital methods
✍ D.C. Frost; F.G. Herring; C.A. McDowell; I.S. Woolsey πŸ“‚ Article πŸ“… 1972 πŸ› Elsevier Science 🌐 English βš– 575 KB

The ESCA chemical shifts of carbon and nitrogen in a variety of chemical ekironments have been calculated from the energy difference (aE) between the pgent molecule and the isoelectronic nitrogen and oxygen containiiv& Lotions using the hIINDO/I valence electron SCF MO method. For the case of carbo