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Density Functional Theory Studies of Hexamethylene Triperoxide Diamine

✍ Scribed by Wierzbicki, Andrzej; Cioffi, Eugene


Book ID
115535451
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
142 KB
Volume
103
Category
Article
ISSN
1089-5639

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Potential energy curves, equilibrium interatomic distances, term energies and harmonic vibration frequencies for the 16 lowest states of neutral carbon monoxide and the six lowest states of singly ionized carbon monoxide are calculated by density functional theory (DFT) and linear-response time-depe