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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3i-pad3/3i-pad3-11-c4/3i-pad3-11-c4-orcasp 3i-pad3-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2171.02038842; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-80-ts-t5ob-t6ob-6mps/3y-me4tbuxphos-80-ts-t5ob-t6ob-6mps-opt 3y-me4tbuxphos-80-ts-t5ob-t6ob-6mps-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2235.64862654; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-02-ts-rxt-c1/3y-me4tbuxphos-02-ts-rxt-c1-opt 3y-me4tbuxphos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2468.15188219; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-07-ts-c2-c3/3r-xphos-07-ts-c2-c3-opt 3r-xphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2542.19152095; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6cn09-c3/3h-ptbu3-6cn09-c3-opt 3h_ptbu3_6cn09_c3 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1570.22656435; Eh | |||
 | 26-Jan-2025 | /3d-pcpt3/3d-pcpt3-05-c2/3d-pcpt3-05-c2-opt 3d-pcpt3-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1768.04424490; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-35-ts-ya-c1/3j-iprjohnphos-35-ts-ya-c1-orcasp 3j-iprjohnphos-35-ts-ya-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1877.67009270; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-10-ts-c3-c4/3l-phdavephos-10-ts-c3-c4-orcasp 3l-phdavephos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2061.13997438; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-45-p1-h2o/3c-pipr3-45-p1-h2o-orcasp 3c-pipr3-45-p1-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2054.37897745; Eh | |||
 | 26-Jan-2025 | /3q-ruphos/3q-ruphos-14-ts-t1-t2/3q-ruphos-14-ts-t1-t2-orcasp 3q-ruphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2495.57925152; Eh |
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