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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-04-ts-c1-c2/3v-tbudavephos-04-ts-c1-c2-opt 3v-tbudavephos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2091.85963170; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6cn09-c3/3m-cyjohnphos-6cn09-c3-opt 3m_cyjohnphos_6cn09_c3 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2029.11243379; Eh | |||
 | 26-Jan-2025 | /3k-phjohnphos/3k-phjohnphos-09-c3/3k-phjohnphos-09-c3-opt 3k-phjohnphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1929.83540992; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-21-t4/3s-brettphos-21-t4-opt 3s-brettphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2518.74182936; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-03-c1/3h-ptbu3-03-c1-opt 3h-ptbu3-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1653.84462361; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-boh4/base-reactants-boh4-opt base-reactants-boh4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -327.738640023; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-10-ts-c3-c4/3c-pipr3-10-ts-c3-c4-orcasp 3c-pipr3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1358.88617972; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6ome13-t1/3t-tbujohnphos-6ome13-t1-orcasp 3t_tbujohnphos_6ome13_t1 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2070.26296099; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-08-c3-boh3/3n-cymephos-08-c3-boh3-orcasp 3n-cymephos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.90335855; Eh | |||
 | 26-Jan-2025 | /9e-pcbu3/9e-pcbu3-45-p1-h2o/9e-pcbu3-45-p1-h2o-opt 9e-pcbu3-45-p1-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2284.52788584; Eh |
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