Calculation of reaction energies for ion-molecule processes of first-row ions and their hydrides
1989 ◽
Vol 54
(11)
◽
pp. 2910-2918
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Keyword(s):
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.
The impact of quantum chemical methods on the interpretation of molecular spectra of carbon clusters
1993 ◽
Vol 294
◽
pp. 21-24
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Keyword(s):
2012 ◽
Vol 18
(11)
◽
pp. 4909-4915
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2017 ◽
Vol 19
(34)
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pp. 23176-23186
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Keyword(s):
Keyword(s):