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Quantum mechanical treatment of biopolymers as solids: Possible implications for carcinogenesis
Author(s) -
Ladik J.,
Otto P.,
Bakhshi A. K.,
Seel M.
Publication year - 1986
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560290404
Subject(s) - aperiodic graph , ab initio , polynucleotide , block (permutation group theory) , range (aeronautics) , chemistry , electronic structure , electronic band structure , quantum , computational chemistry , materials science , chemical physics , physics , condensed matter physics , quantum mechanics , mathematics , organic chemistry , biochemistry , composite material , geometry , combinatorics
After briefly reviewing the results of ab initio band structure calculations on periodic polynucleotides, it is shown how these band structures can be corrected for correlation (quasi particle band structures). Some new results on the electronic structure of aperiodic polypeptides (having up to four different amino acids as components) obtained with the help of the matrix block negative factor counting technique are then presented. They are supplemented by similar results calculated for nonperiodic nucleotide base stacks. Some plausible long‐range effects for the activation of oncogenes through carcinogens are then reviewed. Finally, the preparation of much better defined samples of biopolymers (on which reliable physical measurements could be performed) is discussed.