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Green’s function application to chemical perturbation studies

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Abstract

Green’s function technique has been applied to the calculation of force field changes when all the atoms in a linearXY 2 symmetric molecule undergo perturbation. The formulae for the valence force constant changes have been derived and verified in about 13 different perturbations.

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Goud, S.L., Balasubramanian, V. & Gupta, B.K. Green’s function application to chemical perturbation studies. Proc. Indian Acad. Sci. (Chem. Sci.) 88, 453–455 (1979). https://doi.org/10.1007/BF02843339

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  • DOI: https://doi.org/10.1007/BF02843339

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