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Effect of electron correlation of the reactivity of conjugate molecules

✍ Scribed by L. N. Labzovskii

Book ID
112362202
Publisher
Springer
Year
1971
Tongue
English
Weight
185 KB
Volume
4
Category
Article
ISSN
0040-5760

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✍ Russell J. Boyd; Liang-Chen Wang πŸ“‚ Article πŸ“… 1989 πŸ› John Wiley and Sons 🌐 English βš– 780 KB

The topological properties of the electron density and the properties of a n atom in a molecule are calculated by means of second-order Mgller-Plesset perturbation theory (MP2) and compared with the results of configuration interaction calculations (CI2) which include all single and double substitut