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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3i-xphos/3i-xphos-19-t3 3i-xphos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2287.35958251; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-18-t3-boh3 3k-tbujohnphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.49174556; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-18-t3-boh3 9c-etjohnphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1877.58232589; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-55-tw-ref 2g-pcy3-55-tw-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1401.14169749; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-05-c2 2h-pcy2tbu-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1808.48367892; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-84-lig 2e-pipr3-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -695.952030072; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-06-c2-h2o 3m-tbudavephos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2165.86757676; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-25-ts-t5-t6 3e-cymephos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.82919249; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-52-cs-ref 3d-cyjohnphos-52-cs-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1856.89404288; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-30-ts-t2-xb 3o-tbubrettphos-30-ts-t2-xb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.89890347; Eh |
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