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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-07-ts-c2-c3 3p-me4tbuxphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2544.51273806; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-30-ts-t2-xb 3n-tbuxphos-30-ts-t2-xb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.27263435; Eh | |||
 | 7-Aug-2024 | /3g-sphos/3g-sphos-13-t1 3g-sphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.38836724; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-27-ts-t2-xa 3p-me4tbuxphos-27-ts-t2-xa-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2465.29242849; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-07-ts-c2-c3 3k-tbujohnphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2032.32204574; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-54-cw-ref 3k-tbujohnphos-54-cw-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1471.96974672; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-08-c3-boh3 3m-tbudavephos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2165.86381153; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-22-c5 2f-pcpt3-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1842.39418495; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-22-c5 2e-pipr3-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1610.87073720; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-33-ts-rxt-ya 3d-cyjohnphos-33-ts-rxt-ya-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.72905554; Eh |
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