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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-11-c4/3j-iprjohnphos-11-c4-opt 3j-iprjohnphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1703.98319368; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-75-t5ob/3y-me4tbuxphos-75-t5ob-orcasp 3y-me4tbuxphos-75-t5ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2080.63792897; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-15-t2/3z-adjohnphos-15-t2-orcasp 3z-adjohnphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2419.12643169; Eh | |||
 | 26-Jan-2025 | /3k-phjohnphos/3k-phjohnphos-21-t4/3k-phjohnphos-21-t4-orcasp 3k-phjohnphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1927.65133196; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-15-t2/3w-tbuxphos-15-t2-orcasp 3w-tbuxphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.63862889; Eh | |||
 | 26-Jan-2025 | /unlig-pdoh2/unlig-pdoh2-24-ts-int5t-int6t/unlig-pdoh2-24-ts-int5t-int6t-opt unlig-pdoh2-24-ts-int5t-int6t-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1401.04671749; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-15-t2/3s-brettphos-15-t2-opt 3s-brettphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.47880843; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-09-c3/3b-potol3-09-c3-opt 3b-potol3-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1816.92189498; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-02-ts-rxt-c1/3z-adjohnphos-02-ts-rxt-c1-orcasp 3z-adjohnphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2419.08495130; Eh | |||
 | 26-Jan-2025 | /9b-cptjohnphos/9b-cptjohnphos-07-ts-c2-c3/9b-cptjohnphos-07-ts-c2-c3-orcasp 9b-cptjohnphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2108.34141389; Eh |
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