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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6omee15-ts-et1-et2/3h-ptbu3-6omee15-ts-et1-et2-orcasp 3h_ptbu3_6omee15_ts_et1_et2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2000.14514202; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-07-ts-c2-c3/3a-pph3-07-ts-c2-c3-orcasp 3a-pph3-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1949.27712553; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-04-ts-c1-c2/3t-tbujohnphos-04-ts-c1-c2-opt 3t-tbujohnphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1958.15117352; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-36-ts-rxt-yb/3s-brettphos-36-ts-rxt-yb-opt 3s-brettphos-36-ts-rxt-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.76737913; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6ome11-c4/3t-tbujohnphos-6ome11-c4-opt 3t_tbujohnphos_6ome11_c4 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1896.74209987; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-09-c3/3s-brettphos-09-c3-opt 3s-brettphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2518.75974066; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-07-ts-c2-c3/3e-pcy3-07-ts-c2-c3-orcasp 3e-pcy3-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1959.94607776; Eh | |||
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-24-t5/3v-tbudavephos-24-t5-orcasp 3v-tbudavephos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2165.83183888; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-11-c4/3m-cyjohnphos-11-c4-orcasp 3m-cyjohnphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1934.74750285; Eh | |||
 | 26-Jan-2025 | /3g-ptbu2cy/3g-ptbu2cy-22-c5/3g-ptbu2cy-22-c5-orcasp 3g-ptbu2cy-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1805.54805521; Eh |
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