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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-17-ts-t2-t3 3d-cyjohnphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.67105218; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-23-ts-c5-c6 3e-cymephos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.83161274; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-53-ts-ref 2j-ptbu3-53-ts-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1398.55434421; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-28-xa 3o-tbubrettphos-28-xa-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2285.14532136; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-11-c4 9d-mejohnphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1545.34473689; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-24-t5 2j-ptbu3-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1728.31985385; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-16-t2-h2o 3b-phjohnphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2181.86918912; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-10-ts-c3-c4 9b-cptjohnphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1858.50410378; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-20-ts-t3-t4 9h-pme3-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1125.03466638; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-21-t4 3d-cyjohnphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1937.01269163; Eh |
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