APPLICATION OF `NEARLY LINEAR' FORMALISM TO HCN, HCP AND $H_{2}O$

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1966

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Ohio State University

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Abstract

The bending of a nearly linear molecule can be described by a two dimensional harmonic oscillator well, perturbed either by a Lorentzian1 or by a Gaussian2 hump. Both models give essentially the same result. In the present work the theory has been applied to the calculation of ΔGs,αs and DKs of excited electronic states of HCN and HCP and also of the ground state of H2O.

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1 W. R. Thorson and I. Nakagawa, J. Chem. Phys, 33, 994 (1960). 2 R. N. Dixon, Trans. Farad. Soc. 60, 1363 (1964).


Author Institution: Division of Pure Physics, National Research Council

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