Tight-binding 'dihedral orbitals' approach to electronic communicability in macromolecular chains

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dc.creatorEstrada, Ernesto
dc.creatorHatano, Naomichi
dc.date2009-05-26
dc.date.accessioned2026-07-07T13:18:09Z
dc.date.available2026-07-07T13:18:09Z
dc.descriptionAn electronic orbital of a dihedral angle of a molecular chain is introduced. A tight-binding Hamiltonian on the basis of the dihedral orbitals is defined. This yields the Green's function between two dihedral angles of the chain. It is revealed that the Green's function, which we refer to as the electronic communicability, is useful in differentiating protein molecules of different types of conformation and secondary structure.
dc.description17 pages, 2 figures
dc.identifierhttps://arxiv.org/abs/0905.4099
dc.identifierhttp://arxiv.org/abs/0905.4099
dc.identifierChem. Phys. Lett. 449 (2007) 216-220
dc.identifierdoi:10.1016/j.cplett.2007.10.028
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/231343
dc.subjectChemical Physics
dc.subjectStatistical Mechanics
dc.titleTight-binding 'dihedral orbitals' approach to electronic communicability in macromolecular chains
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