Volume 67, 1971

Perturbation calculations of the interaction energies between non-bonded hydrogen atoms. Part 2

Abstract

Calculations of the interaction energy between non-bonded hydrogen atoms in the fragments A—H---H′—A′ for selected displacements of the hydrogen atoms enable one to evaluate corrections to the force field due to the non-bonded interactions and to discuss the changes in the stretching vibration frequencies of the interacting fragments.

Article information

Article type
Paper

Trans. Faraday Soc., 1971,67, 2819-2827

Perturbation calculations of the interaction energies between non-bonded hydrogen atoms. Part 2

W. G. Laidlaw, H. N. W. Lekkerkerker and H. Wieser, Trans. Faraday Soc., 1971, 67, 2819 DOI: 10.1039/TF9716702819

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