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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-21-t4 9a-cbujohnphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1777.98876106; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-79-ts-hc3-pd0boh3 2j-ptbu3-79-ts-hc3-pd0boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1962.72798617; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-32-ts-xb-t3 3n-tbuxphos-32-ts-xb-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2135.52591325; Eh | |||
 | 7-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-42-p1 3a-iprjohnphos-42-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2667.22447927; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-68-ts-t3ob-2h2o-t4ob 3p-me4tbuxphos-68-ts-t3ob-2h2o-t4ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2233.12539520; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-79-ts-hc3-pd0boh3 2g-pcy3-79-ts-hc3-pd0boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2192.05819932; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-14-ts-t1-t2 3c-phdavephos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2236.81985608; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-14-ts-t1-t2 2k-pad3-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2346.65721286; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-08-c3-boh3 2c-pph3-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1949.28575069; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-19-t3 3n-tbuxphos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2132.97333919; Eh |
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