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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-May-2024 | /calcs/02_Protected_Couplers/02_R2_DADPA/03_PDM/05_MESITYL _SP_T_ | Santiago Piera, Raul | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UPBE1PBE | 6-311G(D) | -5867.2105297; Eh | |||
 | 2-May-2024 | /calcs/02_Protected_Couplers/01_R2_DPA/01_My/05_MESITYL _GO_T_ | Santiago Piera, Raul | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-311G(D) | -1236.16049667; Eh | |||
 | 2-May-2024 | /calcs/02_Protected_Couplers/01_R2_DPA/01_My/05_MESITYL _SP_S_ | Santiago Piera, Raul | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UPBE1PBE | 6-311G(D) | -1236.1568716; Eh | |||
 | 2-May-2024 | /calcs/02_Protected_Couplers/01_R2_DPA/01_My/04_CN _SP_T_ | Santiago Piera, Raul | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UPBE1PBE | 6-311G(D) | -723.183307; Eh | |||
 | 2-May-2024 | /calcs/01_Delta_ST/03_R2_DBP/02_DPM/2_7_isomer _GO_T_ | Santiago Piera, Raul | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-311G(D) | -1615.66574588; Eh | |||
 | 2-May-2024 | /calcs/01_Delta_ST/03_R2_DBP/02_DPM/2_7_isomer _GO_S_ | Santiago Piera, Raul | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-311G(D) | -1615.66353240; Eh | |||
 | 2-May-2024 | /calcs/01_Delta_ST/03_R2_DBP/02_DPM/2_7_isomer _SP_T_ | Santiago Piera, Raul | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UPBE1PBE | 6-311G(D) | -1615.6654618; Eh | |||
 | 2-May-2024 | /calcs/01_Delta_ST/03_R2_DBP/02_DPM/2_7_isomer _SP_S_ | Santiago Piera, Raul | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UPBE1PBE | 6-311G(D) | -1615.6631918; Eh | |||
 | 2-May-2024 | /calcs/01_Delta_ST/03_R2_DBP/01_My/1_6_isomer _SP_T_ | Santiago Piera, Raul | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UPBE1PBE | 6-311G(D) | -692.3462657; Eh | |||
 | 2-May-2024 | /calcs/01_Delta_ST/01_R2_DPA/03_PDM/n_3 _GO_S_ | Santiago Piera, Raul | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UPBE1PBE | 6-311G(D) | -5444.7344882; Eh |
Results 121-130 of 272 (Search time: 0.001 seconds).