𝔖 Bobbio Scriptorium
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A theoretical study of the structure and electron density of the peptide bond

✍ Scribed by Iskandar Saada; Jason K. Pearson


Book ID
116379898
Publisher
Elsevier
Year
2011
Tongue
English
Weight
629 KB
Volume
969
Category
Article
ISSN
2210-271X

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Ab initio theoretical study of the elect
✍ A.B. Sannigrahi; P.K. Nandi; P.von R. Schleyer πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 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