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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-10-ts-c3-c4 2g-pcy3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1709.96734014; Eh | |||
 | 7-Aug-2024 | /3g-sphos/3g-sphos-22-c5 3g-sphos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.71949117; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-11-c4 3i-xphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2290.10236443; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-20-ts-t3-t4 3l-tbumephos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1819.52240006; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-51-tl-ref 2g-pcy3-51-tl-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2367.85671600; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-06-c2-h2o 2e-pipr3-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1610.88554347; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-13-t1 3k-tbujohnphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1956.03225979; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-08-c3-boh3 9h-pme3-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1375.84245987; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-22-c5 3e-cymephos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.89321042; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-19-t3 2c-pph3-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1697.32457217; Eh |
Results 1401-1410 of 5215 (Search time: 0.001 seconds).