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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-39-t2-lig 3k-tbujohnphos-39-t2-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3072.93427758; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-17-ts-t2-t3 3j-brettphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.69896765; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-04-ts-c1-c2 2k-pad3-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2346.64300477; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-20-ts-t3-t4 2g-pcy3-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1707.95072712; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-19-t3 9b-cptjohnphos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1856.39937441; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-34-ya 3j-brettphos-34-ya-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.45159965; Eh | |||
 | 7-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-45-p1-h2o 9a-cbujohnphos-45-p1-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2895.57453676; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-02-ts-rxt-c1 2e-pipr3-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1536.17074191; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-33-ts-rxt-ya 3i-xphos-33-ts-rxt-ya-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2465.83852029; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-11-c4 9h-pme3-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1125.06978728; Eh |
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