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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2k-pad3/2k-pad3-15-t2 2k-pad3-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2346.69160201; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-41-p1-boh3 2e-pipr3-41-p1-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2232.22883482; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-06-c2-h2o 2f-pcpt3-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1844.35050843; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-00-lpdoh2 3r-adbrettphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -4885.46260538; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-38-ts-yb-c1 3n-tbuxphos-38-ts-yb-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.55438440; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-20-ts-t3-t4 9f-pcpr3-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1356.74487690; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-23-ts-c5-c6 2c-pph3-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1951.22406167; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-21-t4 3q-adjohnphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.11745920; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-15-t2 2f-pcpt3-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1768.00823111; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-03-c1 3p-me4tbuxphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2465.26876646; Eh |
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