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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-ptbu3-52-cs-ref 2j-ptbu3-52-cs-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1398.54344189; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-02-ts-rxt-c1 3g-sphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2338.84572037; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-39-t2-lig 2g-pcy3-39-t2-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2928.16874455; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-22-c5 3b-phjohnphos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2179.60700325; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-03-c1 2f-pcpt3-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1766.07942012; Eh | |||
 | 7-Aug-2024 | /3l-tbumephos/3l-tbumephos-12-ts-rxt-t1 3l-tbumephos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1997.38936927; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-17-ts-t2-t3 3d-cyjohnphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.04311392; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-07-ts-c2-c3 9c-etjohnphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1877.59993537; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-18-t3-boh3 3r-adbrettphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3079.88164651; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-15-t2 3d-cyjohnphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.75762938; Eh |
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