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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3o-davephos/3o-davephos-12-ts-rxt-t1/3o-davephos-12-ts-rxt-t1-orcasp 3o-davephos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2243.93933691; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-85-c2dim/3t-tbujohnphos-85-c2dim-orcasp 3t-tbujohnphos-85-c2dim-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3408.29134047; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-01-rxt/3y-me4tbuxphos-01-rxt-orcasp 3y-me4tbuxphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2465.29752169; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-21-t4/3j-iprjohnphos-21-t4-orcasp 3j-iprjohnphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1702.05378773; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-24-t5/3n-cymephos-24-t5-orcasp 3n-cymephos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.84499875; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6cne07-ts-ec2-ec3/3t-tbujohnphos-6cne07-ts-ec2-ec3-opt 3t_tbujohnphos_6cne07_ts_ec2_ec3 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2360.77854166; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-25-ts-t5-t6/3y-me4tbuxphos-25-ts-t5-t6-opt 3y-me4tbuxphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2544.47964129; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-63-t3ob/3y-me4tbuxphos-63-t3ob-opt 3y-me4tbuxphos-63-t3ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2468.20773091; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-10-ts-c3-c4/3e-pcy3-10-ts-c3-c4-opt 3e-pcy3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1709.96734014; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-53-ts-ref/3e-pcy3-53-ts-ref-opt 3e-pcy3-53-ts-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1631.93002881; Eh |
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