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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
7-Dec-2021 | NO2 | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM062X | 6-311+G(D,P) | - | ||||
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) | - | ||||
22-Mar-2020 | /M062X_BS1_optimized_structures m062_pha_prod1f | G. Algarra, Andrés | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM062X | 6-31G(D,P) SDDALL GEN | -2741.22989676; Eh | ||||
14-Jan-2019 | i1 | Galvao, Tiago | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM062X | - | - | ||||
15-Jan-2019 | i15 | Galvao, Tiago | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM062X | - | - | ||||
15-Jan-2019 | i14 | Galvao, Tiago | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM062X | - | - | ||||
15-Jan-2019 | i11 | Galvao, Tiago | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM062X | - | - | ||||
15-Jan-2019 | i10 | Galvao, Tiago | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM062X | - | - |
Results 11-20 of 260 (Search time: 0.002 seconds).