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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Dec-2021 | H | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM062X | 6-311+G(D,P) | - | |||
 | 7-Dec-2021 | CF3_prot_amine | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM062X | 6-311+G(D,P) | - | |||
 | 7-Dec-2021 | CF3 | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM062X | 6-311+G(D,P) | - | |||
 | 30-Jan-2021 | TS(C-E) | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | |||
 | 30-Jan-2021 | K | Laconsay, Croix | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | |||
 | 30-Jan-2021 | TS(Ap-G) | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | |||
 | 30-Jan-2021 | Ap | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | |||
 | 30-Jan-2021 | TS(I-K) | Laconsay, Croix | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | |||
 | 30-Jan-2021 | G | Laconsay, Croix | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | |||
 | 19-May-2021 | M | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - |
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