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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-19-t3 3m-tbudavephos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1916.14673559; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-17-ts-t2-t3 9b-cptjohnphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2108.29645476; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-05-c2 3a-iprjohnphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1877.75081428; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-04-ts-c1-c2 3p-me4tbuxphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2468.15855294; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-03-c1 2f-pcpt3-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1767.99600061; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-10-ts-c3-c4 3r-adbrettphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2824.42213509; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-53-ts-ref 3k-tbujohnphos-53-ts-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1702.52241312; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-06-c2-h2o 3l-tbumephos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2071.51125815; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-56-oh-ref 2j-ptbu3-56-oh-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1167.46767924; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-53-ts-ref 2g-pcy3-53-ts-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1630.13886033; Eh |
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