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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3g-sphos/3g-sphos-13-t1 3g-sphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2338.86974683; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-23-ts-c5-c6 3q-adjohnphos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.13980939; Eh | |||
 | 7-Aug-2024 | /2k-pad3/2k-pad3-02-ts-rxt-c1 2k-pad3-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2349.35876333; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-k3po4 base-reactants-k3po4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2440.63490483; Eh | |||
 | 6-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-14-ts-t1-t2 3q-adjohnphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2419.08759994; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-35-ts-ya-c1 3j-brettphos-35-ts-ya-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.42307373; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-04-ts-c1-c2 3l-tbumephos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1995.18431204; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-50-cl-ref 3d-cyjohnphos-50-cl-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2821.38165389; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-55-tw-ref 2j-ptbu3-55-tw-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1168.00337286; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-naphbpinoh base-reactants-naphbpinoh-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -869.92237862; Eh |
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