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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_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -1613.31366924; Eh | |||
 | 20-Sep-2023 | hbtp_mmm_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -1613.31367946; Eh | |||
 | 20-Sep-2023 | hbtp_mpp_pmm_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -1614.9451714; Eh | |||
 | 20-Sep-2023 | hbtp_mpp_pmm_ts | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -1613.28549936; Eh | |||
 | 20-Sep-2023 | hbtp_ppp_mpp_ts | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -1613.26204065; Eh | |||
 | 20-Sep-2023 | hbtp_pmm_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -1613.30555866; Eh | |||
 | 20-Sep-2023 | hbtp_mpp_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -1613.30555865; Eh | |||
 | 20-Sep-2023 | hbtp_ppp_mpp_temp | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2SVP | -1613.26204065; Eh | |||
 | 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_temp | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2SVP | -1613.31366924; Eh |
Results 11-20 of 91 (Search time: 0.001 seconds).