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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-13-t1 3c-phdavephos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2236.83295380; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-84-lig 9d-mejohnphos-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -881.87208225; Eh | |||
 | 7-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-44-ts-t3-p1 9c-etjohnphos-44-ts-t3-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2586.56022483; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-04-ts-c1-c2 9g-pet3-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1418.48550810; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-07-ts-c2-c3 3p-me4tbuxphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2541.57678689; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-40-ts-t2-p1 2e-pipr3-40-ts-t2-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2229.99744145; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-10-ts-c3-c4 3j-brettphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2515.74844299; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-04-ts-c1-c2 3i-xphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2462.97902866; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-09-c3 9b-cptjohnphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1856.40889073; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-84-lig 3f-davephos-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1404.82621954; Eh |
Results 2471-2480 of 5215 (Search time: 0.004 seconds).