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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-03-c1 3q-adjohnphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2421.83760227; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-24-t5 3j-brettphos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.78409579; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-13-t1 2f-pcpt3-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1768.00138488; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-05-c2 9h-pme3-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1300.84300753; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-44-ts-t3-p1 9d-mejohnphos-44-ts-t3-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2427.20462985; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-06-c2-h2o 3j-brettphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.75550009; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-18-t3-boh3 3e-cymephos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.88171724; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-13-t1 3j-brettphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.44771797; Eh | |||
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-70-c2dim 2g-pcy3-70-c2dim-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3267.49176069; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-00-lpdoh2 2c-pph3-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2628.13954857; Eh |
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