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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-06-c2-h2o 3b-phjohnphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2181.89558820; Eh | |||
 | 7-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-17-ts-t2-t3 3m-tbudavephos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2168.17856349; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-08-c3-boh3 3m-tbudavephos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2168.22864401; Eh | |||
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-00-lpdoh2 2g-pcy3-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2649.74485814; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-01-rxt 2d-potol3-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1992.63288879; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-34-ya 3d-cyjohnphos-34-ya-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.74405876; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-55-tw-ref 3d-cyjohnphos-55-tw-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1628.16087732; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-21-t4 3b-phjohnphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1929.81347877; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-pd2oac4 base-reactants-pd2oac4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1168.24677984; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-37-yb 3i-xphos-37-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2542.17105570; Eh |
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