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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-17-ts-t2-t3 3a-iprjohnphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1956.02016299; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-38-ts-yb-c1 3j-brettphos-38-ts-yb-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.76040487; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-35-ts-ya-c1 3i-xphos-35-ts-ya-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2465.83051571; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-01-rxt 3n-tbuxphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.28179203; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-21-t4 3j-brettphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2518.74182936; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-07-ts-c2-c3 3m-tbudavephos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2165.85359689; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-25-ts-t5-t6 3a-iprjohnphos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1953.93718525; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-16-t2-h2o 9h-pme3-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1375.80238394; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-65-ts-t3ob-1h2o-t4ob 3o-tbubrettphos-65-ts-t3ob-1h2o-t4ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2231.03793155; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-62-t3ob-rh 3p-me4tbuxphos-62-t3ob-rh-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2468.20837234; Eh |
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