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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-31-xb 3p-me4tbuxphos-31-xb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2213.39765887; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-13-t1 3l-tbumephos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1995.20632612; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-33-ts-rxt-ya 3a-iprjohnphos-33-ts-rxt-ya-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1879.70598298; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-04-ts-c1-c2 3m-tbudavephos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2091.85963170; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-20-ts-t3-t4 3b-phjohnphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1929.78288652; Eh | |||
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-50-cl-ref 2g-pcy3-50-cl-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2370.38042629; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-11-c4 9f-pcpr3-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1356.77699449; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-21-t4 3e-cymephos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1976.25166403; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-61-ts-t3rh-t3ob 3o-tbubrettphos-61-ts-t3rh-t3ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2537.07030128; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-40-ts-t2-p1 9g-pet3-40-ts-t2-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1994.96567313; Eh |
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