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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Sep-2017 | /Gaussian09_calculations/opt SIII_raman | Roser, Morales | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | UBP86 | 6-31g(d,p); SDD | -4002.85950655; Eh | |||
 | 12-Sep-2017 | /Gaussian09_calculations/opt SI_raman | Roser, Morales | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | UBP86 | 6-31g(d,p); SDD | -4002.85874846; Eh | |||
 | 12-Sep-2017 | /Gaussian09_calculations/opt SIII_opt | Roser, Morales | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UBP86 | 6-31g(d,p); SDD | -4002.85870815; Eh | |||
 | 12-Sep-2017 | /Gaussian09_calculations/opt SI_opt | Roser, Morales | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UBP86 | 6-31g(d,p); SDD | -4002.85870815; Eh |
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