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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-07-ts-c2-c3/3n-cymephos-07-ts-c2-c3-opt 3n-cymephos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.32706408; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-04-ts-c1-c2/3n-cymephos-04-ts-c1-c2-opt 3n-cymephos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2151.96696236; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-06-c2-h2o/3n-cymephos-06-c2-h2o-opt 3n-cymephos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.33098123; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-05-c2/3n-cymephos-05-c2-opt 3n-cymephos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2152.02499879; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-03-c1/3n-cymephos-03-c1-opt 3n-cymephos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2151.97434675; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-04-ts-c1-c2/3n-cymephos-04-ts-c1-c2-orcasp 3n-cymephos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2149.57230845; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-06-c2-h2o/3n-cymephos-06-c2-h2o-orcasp 3n-cymephos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.90515032; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-03-c1/3n-cymephos-03-c1-orcasp 3n-cymephos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2149.57517568; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-05-c2/3n-cymephos-05-c2-orcasp 3n-cymephos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2149.64294558; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-02-ts-rxt-c1/3n-cymephos-02-ts-rxt-c1-opt 3n-cymephos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2151.96110936; Eh |
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