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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-25-ts-t5-t6/3n-cymephos-25-ts-t5-t6-orcasp 3n-cymephos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.82919249; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-00-lpdoh2/3o-davephos-00-lpdoh2-orcasp 3o-davephos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3367.29210627; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-01-rxt/3o-davephos-01-rxt-orcasp 3o-davephos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2243.95698551; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-99-lig/3n-cymephos-99-lig-orcasp 3n-cymephos-99-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1310.46885223; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-23-ts-c5-c6/3n-cymephos-23-ts-c5-c6-opt 3n-cymephos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.28108448; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-25-ts-t5-t6/3n-cymephos-25-ts-t5-t6-opt 3n-cymephos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.27777630; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-22-c5/3n-cymephos-22-c5-opt 3n-cymephos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.32505586; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-24-t5/3n-cymephos-24-t5-opt 3n-cymephos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.28479009; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-21-t4/3n-cymephos-21-t4-opt 3n-cymephos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1976.25166403; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-23-ts-c5-c6/3n-cymephos-23-ts-c5-c6-orcasp 3n-cymephos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.83161274; Eh |
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