Abstract
The quantum-chemical study of the ground state of a peptide should be performed, as for any other molecule, through the solution of the corresponding Schrödinger equation. The above statement implies that the relativistic corrections may be ignored as only light atoms (H, C, N, O and S) are involved as a rule. This assumption, however, is not acceptable if the energy levels of the system are to be determined.
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© 1995 Springer-Verlag Berlin Heidelberg
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Fraga, S., Parker, J.M.R., Pocock, J.M. (1995). Quantum Mechanics. In: Computer Simulations of Protein Structures and Interactions. Lecture Notes in Chemistry, vol 66. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-51499-9_3
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DOI: https://doi.org/10.1007/978-3-642-51499-9_3
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-60133-3
Online ISBN: 978-3-642-51499-9
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