DFT Study on the Binding of Selected Metal Ions with Phenylalanine Dipeptide
In this study, M06-2X/6-311+G(2d,2p) level calculations were performed to examine the binding energies and vibrational frequencies of different conformers of phenylalanine dipeptide interacting with metal ions (Na+, K+, Mg2+ and Ca2+). Four conformers were selected from the list of 20 most stable st...
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| Format: | Others |
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DigitalCommons@Robert W. Woodruff Library, Atlanta University Center
2019
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| Online Access: | http://digitalcommons.auctr.edu/cauetds/181 http://digitalcommons.auctr.edu/cgi/viewcontent.cgi?article=1321&context=cauetds |