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The interaction of nitrogen and carbon monoxide with certain ions and neutral species (1982)

Chadha, Rita ; Ray, Naba K.

Springer

Theoretical chemistry accounts 60 (1982), S. 579-587

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ISSN: 1432-2234

Keywords: Nitrogen fixation ; Nitrogen complexes ; Carbon monoxide complexes ; Electronic effects

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: 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.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF00549613

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