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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3f-davephos/3f-davephos-07-ts-c2-c3 3f-davephos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2320.24575475; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-33-ts-rxt-ya 3i-xphos-33-ts-rxt-ya-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2462.99314213; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-39-t2-lig 9g-pet3-39-t2-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1994.98091963; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-44-ts-t3-p1 9g-pet3-44-ts-t3-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1821.03732162; Eh | |||
 | 7-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-00-lpdoh2 9a-cbujohnphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2789.76783359; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-84-lig 3c-phdavephos-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1399.01800388; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-09-c3 3q-adjohnphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.13570082; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-03-c1 2e-pipr3-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1536.18690900; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-40-ts-t2-p1 9c-etjohnphos-40-ts-t2-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2759.56254305; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-60-t3ob 3n-tbuxphos-60-t3ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1923.96808797; Eh |
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