Abstract
MNDO method is used to study the interaction of nitrogen and carbon monoxide molecules with a proton, hydrogen atom, hydride ion, hydrogen molecule ion and hydrogen molecule. Predicted geometries and heats of reaction of different complexes are presented. The wave functions are analyzed in terms of ground state charge distributions and overlap populations. Electronic effects accompanying complexation are also discussed.
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Chadha, R., Ray, N.K. The interaction of nitrogen and carbon monoxide with certain ions and neutral species. Theoret. Chim. Acta 60, 579–587 (1982). https://doi.org/10.1007/BF00549613
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DOI: https://doi.org/10.1007/BF00549613