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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /base-reactants/base-reactants-pdboh32/base-reactants-pdboh32-opt base-reactants-pdboh32-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -631.968865676; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-pdoac2/base-reactants-pdoac2-opt base-reactants-pdoac2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -584.088870144; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-pd/base-reactants-pd-opt base-reactants-pd-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -127.847512488; Eh | |||
 | 26-Jan-2025 | /unlig-pdoh2/unlig-pdoh2-00-murxt/unlig-pdoh2-00-murxt-orcasp unlig-pdoh2-00-murxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1678.23744058; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-pdboh32/base-reactants-pdboh32-orcasp base-reactants-pdboh32-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -631.29552044; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-pdoac2/base-reactants-pdoac2-orcasp base-reactants-pdoac2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -583.33174044; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-pd/base-reactants-pd-orcasp base-reactants-pd-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -127.44437092; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-oh2dioxane/base-reactants-oh2dioxane-opt base-reactants-oh2dioxane-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -689.839118035; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-pd4oac8/base-reactants-pd4oac8-opt base-reactants-pd4oac8-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2336.51539636; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-pd3oac6/base-reactants-pd3oac6-opt base-reactants-pd3oac6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1752.41098526; Eh |
Results 2681-2690 of 5215 (Search time: 0.001 seconds).