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Thermochemistry and NBO analysis of peptide bond: Investigation of basis sets and binding energy

✍ Scribed by A. Tahan; F. Mollaamin; M. Monajjemi

Book ID
110184474
Publisher
International Academic Publishing Co (Nauka/Interperiodica)
Year
2009
Tongue
English
Weight
225 KB
Volume
83
Category
Article
ISSN
0036-0244

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The supermolecule interaction energies at the self-consistent field and the second-order Moller-Plesset perturbation theory levels are analyzed using the polarization approximation perturbation theory of intermolecular interactions. The results for the He-H+ complex show that the perturbation expans