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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 30-Jan-2021 | 14S_1_2 | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | |||
![]() | 30-Jan-2021 | 14S_1_3 | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | |||
![]() | 15-Jun-2021 | TS-6a | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GEN | - | |||
![]() | 15-Jun-2021 | SI-TS-6a-enan | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | GENECP | - | |||
![]() | 15-Jun-2021 | SI-25 | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | GEN | - | |||
![]() | 15-Jun-2021 | SI-6b-enan | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | GEN | - | |||
![]() | 15-Jun-2021 | SI-26 | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | GENECP | - | |||
![]() | 15-Jun-2021 | SI-6a-enan | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | GENECP | - | |||
![]() | 15-Jun-2021 | SI-TS-27 | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | GEN | - | |||
![]() | 15-Jun-2021 | 6a | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | GENECP | - |
Results 1-10 of 475 (Search time: 0.002 seconds).