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Density functional calculations, using Slater basis sets, with exact exchange

โœ Scribed by Watson, Mark A.; Handy, Nicholas C.; Cohen, Aron J.


Book ID
121820223
Publisher
American Institute of Physics
Year
2003
Tongue
English
Weight
223 KB
Volume
119
Category
Article
ISSN
0021-9606

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โœ Noriyuki Kurita; Masahiro Araki; Kenji Nakao; Kinya Kobayashi ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 416 KB ๐Ÿ‘ 1 views

To clarify the efficiency of the molecular orbital (MO) method based on the density functional theory (DFT) for describing the stacking properties of DNA bases, we have investigated the stacking energy of the cytosine dimer by using the Gaussian programs and our developed MO program based on DFT and