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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-02-ts-rxt-c1/3c-pipr3-02-ts-rxt-c1-opt 3c-pipr3-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1536.17074191; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-15-t2/3y-me4tbuxphos-15-t2-opt 3y-me4tbuxphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2468.20589648; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cn13-t1/3e-pcy3-6cn13-t1-opt 3e_pcy3_6cn13_t1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1977.80063950; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-11-c4/3s-brettphos-11-c4-opt 3s-brettphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2518.73204185; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-06-c2-h2o/3z-adjohnphos-06-c2-h2o-orcasp 3z-adjohnphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2495.40995086; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-06-c2-h2o/9d-mejohnphos-06-c2-h2o-orcasp 9d-mejohnphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1797.31986949; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-58-c2alt/3t-tbujohnphos-58-c2alt-orcasp 3t-tbujohnphos-58-c2alt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1956.06975408; Eh | |||
 | 26-Jan-2025 | /3aa-adbrettphos/3aa-adbrettphos-05-c2/3aa-adbrettphos-05-c2-orcasp 3aa-adbrettphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3000.16562640; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6cne02-ts-ecrxt-ec1/3t-tbujohnphos-6cne02-ts-ecrxt-ec1-opt 3t_tbujohnphos_6cne02_ts_ecrxt_ec1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2284.41932917; Eh | |||
 | 26-Jan-2025 | /unlig-pdoh2/unlig-pdoh2-04-ts-int1-int2/unlig-pdoh2-04-ts-int1-int2-opt unlig-pdoh2-04-ts-int1-int2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1401.03933527; Eh |
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