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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-07-ts-c2-c3 2i-ptbu2cy-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1807.49769425; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-04-ts-c1-c2 9e-pcbu3-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1648.45311588; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-75-ts-hc1-hc2 2g-pcy3-75-ts-hc1-hc2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2192.06438167; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-04-ts-c1-c2 9c-etjohnphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1799.33582192; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-16-t2-h2o 3e-cymephos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.86648293; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-15-t2 3a-iprjohnphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1877.72410385; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-11-c4 3h-ruphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2319.91932174; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-16-t2-h2o 3p-me4tbuxphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2544.51263936; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-12-ts-rxt-t1 2c-pph3-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1874.91132147; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-14-ts-t1-t2 2c-pph3-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1874.90677763; Eh |
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