Abstract
Reaction energies calculated by quantum chemical methods are compared with reaction enthalpies obtained on the basis of experimental heats of formation. Fifty six ion-molecule reactions (X+ + H2, XH+ + H2, where X is boron, carbon, or nitrogen, and reactions involving C2H2.+, C2H4.+, and C2H6.+) have been arranged into structurally related sets. Moreover, nine processes important in connection with the C2H2 formation in interstellar clouds are treated.
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More From: Collection of Czechoslovak Chemical Communications
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