1981/03/05 by G. Bicz�, I. Lukovits
Biochemistry, Genetics and Molecular Biology · Chemistry · Mathematics · Physics and Astronomy · #Chemistry #Computer science #Condensed matter physics #DNA and Nucleic Acid Chemistry #Delocalized electron #Electron #Electronic structure #Mathematics #Molecular physics #Physics #Planar #Plane (geometry) #Quantum mechanics #Spectroscopy and Quantum Chemical Studies #Synthesis and Properties of Aromatic Compounds #Valence (chemistry) #Valence electron
paper · doi:10.1002/qua.560200731
openalex publication_date 1981/03/05 · openalex created_date 2025/10/10 · openalex updated_date 2026/06/26
It is outlined how the authors arrived at the existence problem of the intermediate states (IS) possibly appearing in bounded crystals with perfect bulk structure and of certain zig-zag states (ZZS) in almost periodic (even disordered) biopolymers. Earlier results are summarized and commented. An example is given for how to enhance the appearance probability of ISS. It is shown that within a narrow critical interval, the width of which is about the eighth of the average separation of the bulk states in the k space of the finite linear chains, any state becomes an his (almost IS), which is very similar to the IS and approaches it continuously. Estimating the effects of in-plane and in-terplane vibrations of stacked aromatic planar compounds on the delocalized π-electron structures, it is concluded that the valence modes have a strong effect on the in-plane π-electronic systems, but a very small one on the interplane π-electronic interactions. The longitudinal acoustical modes of finite polynucleotide DNA models and their root mean square amplitudes are estimated by the method of Peticolas. According to the results obtained, DNA-like and layered graphitelike systems seem to be the probable host systems of 1%. if they exist at all. The appropriateness of the recursion method is discussed to search for unusual electronic states and structures. Such studies are the first unsteady but exciting steps toward the construction of the molecular computers.