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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9h-pme3/9h-pme3-18-t3-boh3 9h-pme3-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1375.80392484; Eh | |||
 | 7-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-44-ts-t3-p1 3a-iprjohnphos-44-ts-t3-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2743.47481491; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-00-lpdoh2 9f-pcpr3-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1943.31421223; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-00-lpdoh2 3n-tbuxphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3500.85281441; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-11-c4 3f-davephos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2070.71453189; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-23-ts-c5-c6 3a-iprjohnphos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1953.94092246; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-16-t2-h2o 9b-cptjohnphos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2108.32121947; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-14-ts-t1-t2 2j-ptbu3-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1652.05165519; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-06-c2-h2o 3e-cymephos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.90515032; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-24-t5 2g-pcy3-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1959.91383300; Eh |
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