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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-01-rxt 2f-pcpt3-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1766.10382121; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-18-t3-boh3 3o-tbubrettphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2616.20070196; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-35-ts-ya-c1 3d-cyjohnphos-35-ts-ya-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.72544456; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-60-t3rh 3p-me4tbuxphos-60-t3rh-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2468.20417129; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-25-ts-t5-t6 3n-tbuxphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.56894047; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-05-c2 3l-tbumephos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1997.44915670; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-12-ts-rxt-t1 3m-tbudavephos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2089.55216036; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-23-ts-c5-c6 2k-pad3-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2422.89261115; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-78-hc3 2j-ptbu3-78-hc3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1960.50550358; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-28-xa 3n-tbuxphos-28-xa-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2056.70206679; Eh |
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