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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-23-ts-c5-c6/3o-davephos-23-ts-c5-c6-opt 3o-davephos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.74497648; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-25-ts-t5-t6/3o-davephos-25-ts-t5-t6-opt 3o-davephos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.74581978; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-22-c5/3o-davephos-22-c5-opt 3o-davephos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.78580199; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-24-t5/3o-davephos-24-t5-opt 3o-davephos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.75255668; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-21-t4/3o-davephos-21-t4-opt 3o-davephos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2070.72140959; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-23-ts-c5-c6/3o-davephos-23-ts-c5-c6-orcasp 3o-davephos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2320.17730700; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-22-c5/3o-davephos-22-c5-orcasp 3o-davephos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2320.24684850; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-24-t5/3o-davephos-24-t5-orcasp 3o-davephos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2320.20386617; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-21-t4/3o-davephos-21-t4-orcasp 3o-davephos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2068.29966857; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-20-ts-t3-t4/3o-davephos-20-ts-t3-t4-opt 3o-davephos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2070.68699039; Eh |
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