Structure for Titanium calcium (rutile)
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Additional information about this structure
| Owner: | Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Computation date: | 2012-07-24 |
| Contributor(s): | Daniel Du |
| Computational method: | B3LYP/6-31G* |
| Computational software: | Gaussian 09, Revision C.01 |
| Electronic energy: | -2376.30332258 hartree |
| Dipole moment: | 7.9253 debye |
| Rotational constants: | 0.9739028 GHz 0.6015858 GHz 0.5309985 GHz |
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