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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Jul-2022 | /Water/B3LYP-D3(BJ)_6-311+Gdp_mPW1P9W1_6-31+G(d,p) intermediate_C | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | 6-311+G(D,P) | -1265.2908356; Eh | |||
 | 15-Jul-2022 | /Water/B3LYP-D3(BJ)_6-311+Gdp_mPW1P9W1_6-31+G(d,p) intermediate_B | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | 6-311+G(D,P) | -1265.2669773; Eh | |||
 | 15-Jul-2022 | /Water/B3LYP-D3(BJ)_6-311+Gdp_mPW1P9W1_6-31+G(d,p) intermediate_D | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | 6-311+G(D,P) | -1569.703562; Eh |
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