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Active Site Structure and Mechanism of Human Glyoxalase IAn ab Initio Theoretical Study

โœ Scribed by Richter, Uwe; Krauss, Morris


Book ID
127346242
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
232 KB
Volume
123
Category
Article
ISSN
0002-7863

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Ab initio theoretical study of the elect
โœ A.B. Sannigrahi; P.K. Nandi; P.von R. Schleyer ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 542 KB

The ground state electronic structures and dissociation energies ofthe dialkali halide cations MtM2X+ (M,, M, = Li, Na; X= F, Cl) have been calculated at the HF and post-HF (MPn) levels using a variety of basis sets. The calculated values are in good agreement with the corresponding experimental dat