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Ab Initio and Density Functional Study of Complexes between the Methylamines and Water

โœ Scribed by Mmereki, Baagi T.; Donaldson, D. J.


Book ID
127345563
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
129 KB
Volume
106
Category
Article
ISSN
1089-5639

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We analyzed the energy contributions and the spatial distribution differences of several electron densities of atoms and small molecules. The results show the insensitivity of local spin density correlation functionals in respect to differences in the electron densities. On the other hand, significa