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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Sep-2023 | hbtp_ppp_mpp_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -1614.9216811; Eh | |||
 | 20-Sep-2023 | hbtp_ppp_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -1614.9727775; Eh | |||
 | 20-Sep-2023 | hbtp_mmm_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -1614.9727599; Eh | |||
 | 20-Sep-2023 | hbtp_pmm_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -1614.9645286; Eh | |||
 | 7-May-2024 | c3ab-cp-f4 | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RwB97XD | SDD 6-31G(D,P) GEN | -1281.33399280; Eh | |||
 | 7-May-2024 | c5ab-cmdb-pre1 | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RwB97XD | GEN | -1742.75949636; Eh | |||
 | 18-Apr-2024 | tCo-CN+6H2O_tdwb_tzvp_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RwB97XD; TD-FC | TZVP | -1290.3059231; Eh | |||
 | 7-May-2024 | c5ab-co3d-s17f | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RwB97XD | SDD 6-31G(D,P) GEN | -1742.73610413; Eh | |||
 | 7-May-2024 | c3ab-co3a-s13f | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RwB97XD | SDD 6-31G(D,P) GEN | -1742.73563974; Eh | |||
 | 7-May-2024 | c5ab-co3b-s9f | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RwB97XD | SDD 6-31G(D,P) GEN | -1742.74052990; Eh |
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- 14 TD-FC