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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-17-ts-t2-t3 9c-etjohnphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1875.60911563; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-12-ts-rxt-t1 3i-xphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2462.99558744; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-03-c1 3f-davephos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2243.93128983; Eh | |||
 | 7-Aug-2024 | /2j-ptbu3/2j-ptbu3-73-hc1-boh3 2j-ptbu3-73-hc1-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2214.80008479; Eh | |||
 | 7-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-43-t3-lig 3d-cyjohnphos-43-t3-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3209.53962899; Eh | |||
 | 7-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-24-t5 3d-cyjohnphos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.05225571; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-11-c4 2d-potol3-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1816.89538992; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-14-ts-t1-t2 3l-tbumephos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1995.19270476; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-54-cw-ref 2j-ptbu3-54-cw-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1168.00344540; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-22-c5 3p-me4tbuxphos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2541.57056656; Eh |
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