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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3o-davephos/3o-davephos-99-lig/3o-davephos-99-lig-opt 3o-davephos-99-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1406.21101664; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6ome07-ts-c2-c3/3m-cyjohnphos-6ome07-ts-c2-c3-orcasp 3m_cyjohnphos_6ome07_ts_c2_c3 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2300.94761895; Eh | |||
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-10-ts-c3-c4/3v-tbudavephos-10-ts-c3-c4-orcasp 3v-tbudavephos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1913.86992080; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-07-ts-c2-c3/3w-tbuxphos-07-ts-c2-c3-orcasp 3w-tbuxphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.89171139; Eh | |||
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-22-c5/3v-tbudavephos-22-c5-orcasp 3v-tbudavephos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2165.84662757; Eh | |||
 | 26-Jan-2025 | /unlig-pdoh2/unlig-pdoh2-09-int3/unlig-pdoh2-09-int3-orcasp unlig-pdoh2-09-int3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1223.79221548; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-03-c1/3t-tbujohnphos-03-c1-opt 3t-tbujohnphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1958.16075989; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-37-yb/3m-cyjohnphos-37-yb-opt 3m-cyjohnphos-37-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.06129949; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-15-t2/3m-cyjohnphos-15-t2-opt 3m-cyjohnphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.75762938; Eh | |||
 | 26-Jan-2025 | /3k-phjohnphos/3k-phjohnphos-13-t1/3k-phjohnphos-13-t1-opt 3k-phjohnphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2105.54400455; Eh |
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