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| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /Gaussian09_calculations/opt SI_opt | Roser, Morales | Gaussian; 09; EM64L-G09RevD.01 | UBP86 | 6-31g(d,p); SDD | -4002.85870815; Eh | ||
 | /Gaussian09_calculations/opt SIII_opt | Roser, Morales | Gaussian; 09; EM64L-G09RevD.01 | UBP86 | 6-31g(d,p); SDD | -4002.85870815; Eh |
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- 2 6-31g(d,p)
- 2 SDD
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- 2 C80U2
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- 2 Gaussian
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