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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Mar-2019 | TS2_Cl_homo_B3LYP_BS2 | Stanczak, Agnieszka | Gaussian; 09; EM64L-G09RevC.01 | Single point Structure | UB3LYP | 6-31G; 6-311G* | -3372.91977753; Eh | |||
 | 4-Mar-2019 | T_Cl_wB97XD | Stanczak, Agnieszka | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | UwB97XD | - | - | |||
 | 4-Mar-2019 | TS1_wB97XD | Stanczak, Agnieszka | Gaussian; 09; EM64L-G09RevC.01 | Single point Structure | UwB97XD | - | -2911.14075143; Eh | |||
 | 4-Mar-2019 | S_Cl_wB97XD | Stanczak, Agnieszka | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | UwB97XD | - | - | |||
 | 4-Mar-2019 | P_Cl_wB97XD | Stanczak, Agnieszka | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | UwB97XD | - | - | |||
 | 4-Mar-2019 | T_Cl_homo_TPSSh | Stanczak, Agnieszka | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | UTPSSh | - | - | |||
 | 4-Mar-2019 | T_wB97XD | Stanczak, Agnieszka | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | UwB97XD | - | - | |||
 | 4-Mar-2019 | T_Cl_Ph_TPSSh | Stanczak, Agnieszka | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | UTPSSh | - | - | |||
 | 4-Mar-2019 | P_wB97XD | Stanczak, Agnieszka | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | UwB97XD | - | - | |||
 | 4-Mar-2019 | S_wB97XD | Stanczak, Agnieszka | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | UwB97XD | - | - |
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