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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3i-xphos/3i-xphos-13-t1 3i-xphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2465.85555757; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-23-ts-c5-c6 3o-tbubrettphos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2613.27637845; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-13-t1 2f-pcpt3-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1766.09487025; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-84-lig 2e-pipr3-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -695.43676416; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-68-ts-t3ob-2h2o-t4ob 3p-me4tbuxphos-68-ts-t3ob-2h2o-t4ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2235.64862654; Eh | |||
 | 7-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-41-p1-boh3 3k-tbujohnphos-41-p1-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3076.15971965; Eh | |||
 | 7-Aug-2024 | /2d-potol3/2d-potol3-14-ts-t1-t2 2d-potol3-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1992.61346192; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-12-ts-rxt-t1 9b-cptjohnphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.24635176; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-05-c2 9b-cptjohnphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.30620083; Eh | |||
 | 7-Aug-2024 | /3h-ruphos/3h-ruphos-24-t5 3h-ruphos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2574.64274454; Eh |
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