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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-21-t4 3o-tbubrettphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2361.39918977; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-11-c4 2e-pipr3-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1358.90840891; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-21-t4 3n-tbuxphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2132.97239294; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-23-ts-c5-c6 3d-cyjohnphos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.04514863; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-82-ts-hc4-lpd0 2j-ptbu3-82-ts-hc4-lpd0-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1710.68185167; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-15-t2 3m-tbudavephos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2091.89491148; Eh | |||
 | 7-Aug-2024 | /3g-sphos/3g-sphos-08-c3-boh3 3g-sphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.73797168; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-84-lig 3f-davephos-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1406.21101664; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-14-ts-t1-t2 9b-cptjohnphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2032.03197857; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-10-ts-c3-c4 9b-cptjohnphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1856.35533899; Eh |
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