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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-02-ts-rxt-c1 3k-tbujohnphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1956.01360804; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-40-ts-t2-p1 9f-pcpr3-40-ts-t2-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2222.74132817; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-16-t2-h2o 3i-xphos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.28130677; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-12-ts-rxt-t1 3a-iprjohnphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1879.70573320; Eh | |||
 | 7-Aug-2024 | /2k-pad3/2k-pad3-08-c3-boh3 2k-pad3-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2425.72297203; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-24-t5 3r-adbrettphos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3079.87288543; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-28-xa 3n-tbuxphos-28-xa-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2059.22353260; Eh | |||
 | 7-Aug-2024 | /3h-ruphos/3h-ruphos-19-t3 3h-ruphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.59398037; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-25-ts-t5-t6 3r-adbrettphos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3076.35755981; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-07-ts-c2-c3 9h-pme3-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1375.83194364; Eh |
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