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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-06-c2-h2o/3c-pipr3-06-c2-h2o-opt 3c-pipr3-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1612.53798732; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-08-c3-boh3/3c-pipr3-08-c3-boh3-opt 3c-pipr3-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1612.54085382; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-09-c3/3c-pipr3-09-c3-opt 3c-pipr3-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1360.47551454; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-07-ts-c2-c3/3c-pipr3-07-ts-c2-c3-orcasp 3c-pipr3-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1610.87660196; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-06-c2-h2o/3c-pipr3-06-c2-h2o-orcasp 3c-pipr3-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1610.88554347; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-08-c3-boh3/3c-pipr3-08-c3-boh3-orcasp 3c-pipr3-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1610.88472582; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-05-c2/3c-pipr3-05-c2-orcasp 3c-pipr3-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1534.62066884; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-09-c3/3c-pipr3-09-c3-orcasp 3c-pipr3-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1358.93611457; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-02-ts-rxt-c1/3c-pipr3-02-ts-rxt-c1-opt 3c-pipr3-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1536.17074191; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-04-ts-c1-c2/3c-pipr3-04-ts-c1-c2-opt 3c-pipr3-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1536.17857538; Eh |
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