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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-85-c2dim/3m-cyjohnphos-85-c2dim-opt 3m-cyjohnphos-85-c2dim-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3721.53010160; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-56-oh-ref/3m-cyjohnphos-56-oh-ref-opt 3m-cyjohnphos-56-oh-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1627.59558729; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-58-c2alt/3m-cyjohnphos-58-c2alt-opt 3m-cyjohnphos-58-c2alt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.78542265; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-57-koh-ref/3m-cyjohnphos-57-koh-ref-orcasp 3m-cyjohnphos-57-koh-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.40663325; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-55-tw-ref/3m-cyjohnphos-55-tw-ref-orcasp 3m-cyjohnphos-55-tw-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1626.35205462; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-58-c2alt/3m-cyjohnphos-58-c2alt-orcasp 3m-cyjohnphos-58-c2alt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.46094038; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-56-oh-ref/3m-cyjohnphos-56-oh-ref-orcasp 3m-cyjohnphos-56-oh-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1625.82134082; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-51-tl-ref/3m-cyjohnphos-51-tl-ref-opt 3m-cyjohnphos-51-tl-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2824.41528918; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-53-ts-ref/3m-cyjohnphos-53-ts-ref-opt 3m-cyjohnphos-53-ts-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1858.94510642; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-54-cw-ref/3m-cyjohnphos-54-cw-ref-opt 3m-cyjohnphos-54-cw-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1628.16088282; Eh |
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