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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-66-t4ob 3o-tbubrettphos-66-t4ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2228.67617594; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-37-yb 3a-iprjohnphos-37-yb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1953.96571851; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-24-t5 2c-pph3-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1949.23068582; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-51-tl-ref 2j-ptbu3-51-tl-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1906.65045305; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-14-ts-t1-t2 3l-tbumephos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1997.39458749; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-02-ts-rxt-c1 2c-pph3-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1874.90678838; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-37-yb 3d-cyjohnphos-37-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.06129949; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-17-ts-t2-t3 9h-pme3-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1375.78005499; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-14-ts-t1-t2 3i-xphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2462.98966833; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-01-rxt 3d-cyjohnphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.42666961; Eh |
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