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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3o-davephos/3o-davephos-09-c3/3o-davephos-09-c3-opt 3o-davephos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2070.73983025; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-07-ts-c2-c3/3o-davephos-07-ts-c2-c3-orcasp 3o-davephos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2320.24575475; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-10-ts-c3-c4/3o-davephos-10-ts-c3-c4-orcasp 3o-davephos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2068.25619759; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-08-c3-boh3/3o-davephos-08-c3-boh3-orcasp 3o-davephos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2320.25656897; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-11-c4/3o-davephos-11-c4-orcasp 3o-davephos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2068.27665231; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-09-c3/3o-davephos-09-c3-orcasp 3o-davephos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2068.31598794; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-04-ts-c1-c2/3o-davephos-04-ts-c1-c2-opt 3o-davephos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.43805958; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-07-ts-c2-c3/3o-davephos-07-ts-c2-c3-opt 3o-davephos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.79744332; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-06-c2-h2o/3o-davephos-06-c2-h2o-opt 3o-davephos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.80821998; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-03-c1/3o-davephos-03-c1-opt 3o-davephos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.44663114; Eh |
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