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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-13-t1 3m-tbudavephos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2091.88286875; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-44-ts-t3-p1 9c-etjohnphos-44-ts-t3-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2583.90373011; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-17-ts-t2-t3 2j-ptbu3-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1728.31989000; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-14-ts-t1-t2 9g-pet3-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1417.03817562; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-08-c3-boh3 2f-pcpt3-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1842.40140664; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-24-t5 3p-me4tbuxphos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2541.55337753; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-22-c5 3j-brettphos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.74068724; Eh | |||
 | 7-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-41-p1-boh3 9b-cptjohnphos-41-p1-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3228.35927591; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-53-ts-ref 3k-tbujohnphos-53-ts-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1704.37898170; Eh | |||
 | 7-Aug-2024 | /3h-ruphos/3h-ruphos-08-c3-boh3 3h-ruphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2574.68830658; Eh |
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