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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-ptbu3-02-ts-rxt-c1 2j-ptbu3-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1653.84437731; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-23-ts-c5-c6 2j-ptbu3-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1730.14977763; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-14-ts-t1-t2 3o-tbubrettphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2537.03728657; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-35-ts-ya-c1 3n-tbuxphos-35-ts-ya-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.59614973; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-18-t3-boh3 3r-adbrettphos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3076.39630611; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-20-ts-t3-t4 2c-pph3-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1697.28548272; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-21-t4 3j-brettphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2515.79959294; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-24-t5 3e-cymephos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.84499875; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-21-t4 2g-pcy3-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1707.99889848; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-00-lpdoh2 3j-brettphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -4267.25396337; Eh |
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