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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-19-t3 3q-adjohnphos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2243.45868133; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-16-t2-h2o 3j-brettphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.78933605; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-25-ts-t5-t6 3l-tbumephos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2073.70377409; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-06-c2-h2o 2j-ptbu3-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1730.20899865; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-13-t1 3k-tbujohnphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1958.17537763; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-17-ts-t2-t3 3p-me4tbuxphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2541.53654147; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-06-c2-h2o 9d-mejohnphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1797.31986949; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-07-ts-c2-c3 2j-ptbu3-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1728.36268069; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-37-yb 3d-cyjohnphos-37-yb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.67833137; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-03-c1 3a-iprjohnphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1877.69043654; Eh |
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