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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-36-ts-rxt-yb/3w-tbuxphos-36-ts-rxt-yb-opt 3w-tbuxphos-36-ts-rxt-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.56445697; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-23-ts-c5-c6/3e-pcy3-23-ts-c5-c6-opt 3e-pcy3-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1962.02221298; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6ome13-t1/3m-cyjohnphos-6ome13-t1-opt 3m_cyjohnphos_6ome13_t1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2227.06188210; Eh | |||
 | 26-Jan-2025 | /9e-pcbu3/9e-pcbu3-00-lpdoh2/9e-pcbu3-00-lpdoh2-opt 9e-pcbu3-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2178.72618156; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-40-ts-t2-p1/3e-pcy3-40-ts-t2-p1-orcasp 3e-pcy3-40-ts-t2-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2928.13828892; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-03-c1/3b-potol3-03-c1-orcasp 3b-potol3-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1990.48417605; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-11-c4/9c-etjohnphos-11-c4-orcasp 9c-etjohnphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1623.69556989; Eh | |||
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-23-ts-c5-c6/3v-tbudavephos-23-ts-c5-c6-opt 3v-tbudavephos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2168.16721191; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-10-ts-c3-c4/3b-potol3-10-ts-c3-c4-opt 3b-potol3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1816.87387994; Eh | |||
 | 26-Jan-2025 | /3d-pcpt3/3d-pcpt3-39-t2-lig/3d-pcpt3-39-t2-lig-opt 3d-pcpt3-39-t2-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2695.81580486; Eh |
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