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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-23-ts-c5-c6 3c-phdavephos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2315.54456254; Eh | |||
 | 7-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-22-c5 3m-tbudavephos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2168.20657746; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-09-c3 9d-mejohnphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1547.08294911; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-12-ts-rxt-t1 3n-tbuxphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.60155333; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-08-c3-boh3 9a-cbujohnphos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2029.94471821; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-84-lig 3m-tbudavephos-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1250.45018615; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-15-t2 9b-cptjohnphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2032.06905747; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-83-lpd0 2j-ptbu3-83-lpd0-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -940.43160493; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-11-c4 3q-adjohnphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.10224655; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-24-t5 3i-xphos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2542.15487719; Eh |
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