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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3h-ruphos/3h-ruphos-11-c4 3h-ruphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.58780798; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-11-c4 3g-sphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2165.64275799; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-25-ts-t5-t6 3d-cyjohnphos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.64965922; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-07-ts-c2-c3 3n-tbuxphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.89171139; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-32-ts-xb-t3 3n-tbuxphos-32-ts-xb-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2132.94987106; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-04-ts-c1-c2 9b-cptjohnphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.25020746; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-12-ts-rxt-t1 2f-pcpt3-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1767.98815161; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-14-ts-t1-t2 9d-mejohnphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1722.77591689; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-17-ts-t2-t3 2c-pph3-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1951.22238305; Eh | |||
 | 7-Aug-2024 | /3l-tbumephos/3l-tbumephos-22-c5 3l-tbumephos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2073.73711426; Eh |
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