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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-25-ts-t5-t6 3k-tbujohnphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.46625867; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-55-tw-ref 3d-cyjohnphos-55-tw-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1628.16087732; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-21-t4 3b-phjohnphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1929.81347877; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-36-ts-rxt-yb 3n-tbuxphos-36-ts-rxt-yb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.86340073; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-05-c2 2d-potol3-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1990.55080298; Eh | |||
 | 6-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-22-c5 3q-adjohnphos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2495.39224480; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-09-c3 2f-pcpt3-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1590.45631586; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-03-c1 2k-pad3-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2346.65841601; Eh | |||
 | 7-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-40-ts-t2-p1 3a-iprjohnphos-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2919.22482872; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-02-ts-rxt-c1 3m-tbudavephos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2091.85734863; Eh |
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