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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-24-t5 3m-tbudavephos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2165.83183888; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-03-c1 9b-cptjohnphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.25614376; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-05-c2 3b-phjohnphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2105.59431661; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-13-t1 3r-adbrettphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3003.58054759; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-21-t4 9a-cbujohnphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1780.00587960; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-09-c3 9f-pcpr3-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1356.79651418; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-04-ts-c1-c2 9d-mejohnphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1720.98830526; Eh | |||
 | 6-Aug-2024 | /unlig-pdoh2/unlig-pdoh2-11-int4 unlig-pdoh2-11-int4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1223.77711777; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-binaph base-reactants-binaph-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -768.19603333; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-24-t5 2k-pad3-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2422.94118265; Eh |
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