EHT and CNDO/2 calculations on amino terminal peptides |
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| Authors: | M. Bossa A. Damiani R. Fidenzi S. Gigli R. Leli G. Ramunni |
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| Affiliation: | (1) Istituto Chimico dell'Università di Roma, Italia;(2) Istituto di Chimica delle Macromolecole, Nucleo di Roma, Italia |
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| Abstract: | Quantum Mechanical investigations have been performed by means of EHT and CNDO/2 methods on the three amino terminal peptides: NH3+-CH2-CONHCH3, NH3+-CH(CH3)-CONHCH3 and NH3+-CH2-CON(CH2)4. The resulting energy maps compare satisfactorily with the distribution of the experimental X-rays data. |
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