Molecular Orbital Perturbation Theory. II. Charge Displacement and Stabilization in Conjugated Molecules

The general perturbation method outlined in part I is used to study energy and charge distribution changes caused by inductive and electromeric-type perturbations in conjugated molecules. Self-consistent orbitals for the unperturbed systems are found by approximating electron interaction integrals a...

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Veröffentlicht in:	Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences Mathematical and physical sciences, 1955-12, Vol.233 (1193), p.241-247
Hauptverfasser:	Pople, John Anthony, Schofield, P.
Format:	Artikel
Sprache:	eng
Schlagworte:	Atoms Charge density Electron scattering Electrons Furans Hydrocarbons Molecular orbitals Molecules Orbitals Perturbation theory
Online-Zugang:	Volltext
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