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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-07-ts-c2-c3 2j-ptbu3-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1730.20134483; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-05-c2 3m-tbudavephos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2091.92059378; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-09-c3 2c-pph3-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1699.21177899; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-35-ts-ya-c1 3a-iprjohnphos-35-ts-ya-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1877.67009270; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-02-ts-rxt-c1 9e-pcbu3-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1648.44918796; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-24-t5 3i-xphos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.26018018; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-40-ts-t2-p1 9h-pme3-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1761.39441432; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-22-c5 3p-me4tbuxphos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2544.51639871; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-09-c3 3o-tbubrettphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2364.17499819; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-19-t3 3b-phjohnphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1929.81006121; Eh |
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