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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-07-ts-c2-c3 3o-tbubrettphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2613.34141539; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-23-ts-c5-c6 3d-cyjohnphos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.65597379; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-10-ts-c3-c4 3c-phdavephos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2061.13997438; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-84-lig 3p-me4tbuxphos-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1626.19366490; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-21-t4 3a-iprjohnphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1702.05378773; Eh | |||
 | 6-Aug-2024 | /base-catalysis/base-catalysis-11-naphbpinoh-h2o base-catalysis-11-naphbpinoh-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -947.103674661; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-43-t3-lig 9g-pet3-43-t3-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1821.04903613; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-23-ts-c5-c6 3i-xphos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2542.14111534; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-37-yb 3r-adbrettphos-37-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3079.89562140; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-24-t5 2i-ptbu2cy-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1807.45374576; Eh |
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