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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-17-ts-t2-t3/3o-davephos-17-ts-t2-t3-opt 3o-davephos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.74738641; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-18-t3-boh3/3o-davephos-18-t3-boh3-opt 3o-davephos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.77978787; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-19-t3/3o-davephos-19-t3-opt 3o-davephos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2070.71615001; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-17-ts-t2-t3/3o-davephos-17-ts-t2-t3-orcasp 3o-davephos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2320.19935321; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-20-ts-t3-t4/3o-davephos-20-ts-t3-t4-orcasp 3o-davephos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2068.25589501; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-16-t2-h2o/3o-davephos-16-t2-h2o-orcasp 3o-davephos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2320.21631852; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-18-t3-boh3/3o-davephos-18-t3-boh3-orcasp 3o-davephos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2320.24029014; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-19-t3/3o-davephos-19-t3-orcasp 3o-davephos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2068.30192721; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-12-ts-rxt-t1/3o-davephos-12-ts-rxt-t1-opt 3o-davephos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.43722330; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-14-ts-t1-t2/3o-davephos-14-ts-t1-t2-opt 3o-davephos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.43749201; Eh |
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