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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-56-oh-ref/3e-pcy3-56-oh-ref-orcasp 3e-pcy3-56-oh-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1399.04934341; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-51-tl-ref/3e-pcy3-51-tl-ref-opt 3e-pcy3-51-tl-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2370.37673870; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-50-cl-ref/3e-pcy3-50-cl-ref-opt 3e-pcy3-50-cl-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2370.38042629; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-52-cs-ref/3e-pcy3-52-cs-ref-opt 3e-pcy3-52-cs-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1631.91521641; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-53-ts-ref/3e-pcy3-53-ts-ref-opt 3e-pcy3-53-ts-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1631.93002881; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-51-tl-ref/3e-pcy3-51-tl-ref-orcasp 3e-pcy3-51-tl-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2367.85671600; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-53-ts-ref/3e-pcy3-53-ts-ref-orcasp 3e-pcy3-53-ts-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1630.13886033; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-50-cl-ref/3e-pcy3-50-cl-ref-orcasp 3e-pcy3-50-cl-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2367.84965049; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-52-cs-ref/3e-pcy3-52-cs-ref-orcasp 3e-pcy3-52-cs-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1630.12612540; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-49-t-ref/3e-pcy3-49-t-ref-orcasp 3e-pcy3-49-t-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1323.31412525; Eh |
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