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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9h-pme3/9h-pme3-04-ts-c1-c2 9h-pme3-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1300.78839808; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-84-lig 2c-pph3-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1034.69402017; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-29-ts-xa-t3 3o-tbubrettphos-29-ts-xa-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2361.39286135; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-16-t2-h2o 3a-iprjohnphos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1953.97915562; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-12-ts-rxt-t1 2k-pad3-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2346.65994705; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-06-c2-h2o 3f-davephos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2320.25463306; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-56-oh-ref 2g-pcy3-56-oh-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1399.04934341; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-05-c2 3m-tbudavephos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2089.61009103; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-14-ts-t1-t2 3o-tbubrettphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.88807043; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-45-p1-h2o 9f-pcpr3-45-p1-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2049.11468599; Eh |
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