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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-pcy3-20-ts-t3-t4 2g-pcy3-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1709.95854345; Eh | |||
 | 7-Aug-2024 | /3e-cymephos/3e-cymephos-18-t3-boh3 3e-cymephos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.30848982; Eh | |||
 | 7-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-22-c5 3a-iprjohnphos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1956.06666743; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-09-c3 2g-pcy3-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1710.01049046; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-02-ts-rxt-c1 3p-me4tbuxphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2465.27063096; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-46-ub-ref 2g-pcy3-46-ub-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2646.69657667; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-23-ts-c5-c6 2c-pph3-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1949.20577378; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-13-t1 3f-davephos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2243.94794958; Eh | |||
 | 7-Aug-2024 | /3c-phdavephos/3c-phdavephos-20-ts-t3-t4 3c-phdavephos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2063.49544162; Eh | |||
 | 6-Aug-2024 | /unlig-pdoh2/unlig-pdoh2-09-int3 unlig-pdoh2-09-int3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1225.32601365; Eh |
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