𝔖 Bobbio Scriptorium
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Density functional theory studies of doping in titania

✍ Scribed by Long, Run; English, Niall J.


Book ID
121293908
Publisher
Taylor and Francis Group
Year
2010
Tongue
English
Weight
665 KB
Volume
36
Category
Article
ISSN
0892-7022

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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