๐”– Bobbio Scriptorium
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A systematic study of the effect of triple substitutions on the electron correlation energy of small molecules

โœ Scribed by Michael J. Frisch; Raghavachari Krishnan; John A. Pople


Book ID
107732368
Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
310 KB
Volume
75
Category
Article
ISSN
0009-2614

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The effect of electron correlation on th
โœ Russell J. Boyd; Liang-Chen Wang ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 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