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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Jun-2022 | I_don | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | - | DEF2SVP | -1676.66444392; Eh | |||
 | 1-Jun-2022 | G_don | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP | -540.987121775; Eh | |||
 | 1-Jun-2022 | TS_J_K_acc | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1598.13504430; Eh | |||
 | 1-Jun-2022 | TS_C_H_acc | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1598.12971612; Eh | |||
 | 1-Jun-2022 | TS_C_F_acc | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | - | DEF2SVP | -1598.13303101; Eh | |||
 | 1-Jun-2022 | I_acc | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | - | DEF2SVP | -1598.17861409; Eh | |||
 | 7-Dec-2021 | OCH3_prot_ket | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM062X | 6-311+G(D,P) | - | |||
 | 7-Dec-2021 | NH2_prot_ket | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM062X | 6-311+G(D,P) | - | |||
 | 7-Dec-2021 | NO2_prot_ket | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM062X | 6-311+G(D,P) | - | |||
 | 7-Dec-2021 | H_prot_ket | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM062X | 6-311+G(D,P) | - |
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