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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-40-ts-t2-p1 3a-iprjohnphos-40-ts-t2-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2916.24495084; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-14-ts-t1-t2 3j-brettphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.43029015; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-28-xa 3p-me4tbuxphos-28-xa-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2213.38793249; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-01-rxt 2k-pad3-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2346.68026966; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-34-ya 3n-tbuxphos-34-ya-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.61960884; Eh | |||
 | 7-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-45-p1-h2o 9b-cptjohnphos-45-p1-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3052.59690022; Eh | |||
 | 7-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-00-lpdoh2 9b-cptjohnphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2946.82043446; Eh | |||
 | 7-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-22-c5 3k-tbujohnphos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.51283286; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-21-t4 9c-etjohnphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1625.52087696; Eh | |||
 | 7-Aug-2024 | /3f-davephos/3f-davephos-22-c5 3f-davephos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.78580199; Eh |
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