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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-11-c4/3l-phdavephos-11-c4-orcasp 3l-phdavephos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2061.16455571; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-09-c3/3l-phdavephos-09-c3-orcasp 3l-phdavephos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2061.19920044; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-04-ts-c1-c2/3l-phdavephos-04-ts-c1-c2-opt 3l-phdavephos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2239.23614624; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-07-ts-c2-c3/3l-phdavephos-07-ts-c2-c3-opt 3l-phdavephos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2315.58944290; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-06-c2-h2o/3l-phdavephos-06-c2-h2o-opt 3l-phdavephos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2315.60339437; 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 | /3l-phdavephos/3l-phdavephos-05-c2/3l-phdavephos-05-c2-opt 3l-phdavephos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2239.29479363; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-04-ts-c1-c2/3l-phdavephos-04-ts-c1-c2-orcasp 3l-phdavephos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2236.81082479; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-06-c2-h2o/3l-phdavephos-06-c2-h2o-orcasp 3l-phdavephos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2313.14339243; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-03-c1/3l-phdavephos-03-c1-orcasp 3l-phdavephos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2236.81576022; Eh |
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