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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3i-pad3/3i-pad3-15-t2/3i-pad3-15-t2-orcasp 3i-pad3-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2346.69160201; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-13-t1/3i-pad3-13-t1-orcasp 3i-pad3-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2346.67313069; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-10-ts-c3-c4/3i-pad3-10-ts-c3-c4-opt 3i-pad3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2173.61011526; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-07-ts-c2-c3/3i-pad3-07-ts-c2-c3-opt 3i-pad3-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2425.71664807; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-08-c3-boh3/3i-pad3-08-c3-boh3-opt 3i-pad3-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2425.72297203; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-11-c4/3i-pad3-11-c4-opt 3i-pad3-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2173.62745481; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-09-c3/3i-pad3-09-c3-opt 3i-pad3-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2173.65966527; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-10-ts-c3-c4/3i-pad3-10-ts-c3-c4-orcasp 3i-pad3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2170.97409159; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-07-ts-c2-c3/3i-pad3-07-ts-c2-c3-orcasp 3i-pad3-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2422.96880612; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-08-c3-boh3/3i-pad3-08-c3-boh3-orcasp 3i-pad3-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2422.97178101; Eh |
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