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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6omee16-et2/3e-pcy3-6omee16-et2-opt 3e_pcy3_6omee16_et2 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2234.23164135; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-07-ts-c2-c3/3p-sphos-07-ts-c2-c3-opt 3p-sphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.73109497; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-03-c1/3l-phdavephos-03-c1-opt 3l-phdavephos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2239.24481971; Eh | |||
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-19-t3/3v-tbudavephos-19-t3-opt 3v-tbudavephos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1916.14673559; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-19-t3/3f-pcy2tbu-19-t3-opt 3f-pcy2tbu-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1632.69776948; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-93-hc3/3h-ptbu3-93-hc3-orcasp 3h-ptbu3-93-hc3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1960.50550358; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-11-c4/9g-pet3-11-c4-orcasp 9g-pet3-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1241.39191441; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-06-c2-h2o/3p-sphos-06-c2-h2o-opt 3p-sphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.73677885; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-22-c5/3h-ptbu3-22-c5-opt 3h-ptbu3-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1730.19493488; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-22-c5/3a-pph3-22-c5-opt 3a-pph3-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1951.26611205; Eh |
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