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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-oboh2/base-reactants-oboh2-opt base-reactants-oboh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -251.418822574; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-naphbpinoh/base-reactants-naphbpinoh-orcasp base-reactants-naphbpinoh-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -869.92237862; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-oh0dioxane/base-reactants-oh0dioxane-orcasp base-reactants-oh0dioxane-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -75.66347554; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-obpin/base-reactants-obpin-orcasp base-reactants-obpin-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -485.24424886; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-oboh2/base-reactants-oboh2-orcasp base-reactants-oboh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -251.37446703; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-naphbpin/base-reactants-naphbpin-opt base-reactants-naphbpin-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -795.037088585; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-naphboh3/base-reactants-naphboh3-opt base-reactants-naphboh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -636.587303946; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-naphboh2/base-reactants-naphboh2-opt base-reactants-naphboh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -560.842067930; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-naph/base-reactants-naph-opt base-reactants-naph-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -385.139916343; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-naphbpin/base-reactants-naphbpin-orcasp base-reactants-naphbpin-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -794.18333045; Eh |
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