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Simple method of calculating correlational corrections for inner atomic levels

✍ Scribed by R. V. Vedrinskii; V. V. Krivitskii; A. P. Pavlov

Book ID
112444091
Publisher
Springer
Year
1976
Tongue
English
Weight
333 KB
Volume
19
Category
Article
ISSN
1573-9228

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A previously developed method for calculating atomic charge in neutral molecules is modified so as to account for charged molecular species. The method is based on the orbital electronegativity (EN) concept and utilizes an EN equalization principal. Since only one linear equation is required per bon