Determination of eigenvectors in DNA polymer spectroscopy by isotopic substitution

Autor: V. K. Saxena, L. L. Van Zandt
Rok vydání: 1990
Předmět:
Zdroj: Biopolymers. 30:87-91
ISSN: 1097-0282
0006-3525
DOI: 10.1002/bip.360300110
Popis: A simple relationship between frequency shifts to be expected in molecular vibrational spectra upon isotopic substitution and component values of eigenvectors is displayed. Application of this expression to the problem of force constant refinement is discussed in terms of a refinement algorithm developed some years ago to overcome particular problems associated with large molecular systems. Calculations of expected isotopic shifts have been calculated and are tabulated here for experimental reference.
Databáze: OpenAIRE