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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-25-ts-t5-t6/3c-pipr3-25-ts-t5-t6-opt 3c-pipr3-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1612.48241238; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-25-ts-t5-t6/3p-sphos-25-ts-t5-t6-orcasp 3p-sphos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2415.10509014; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-13-t1/9d-mejohnphos-13-t1-orcasp 9d-mejohnphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1721.00620403; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-05-c2/9c-etjohnphos-05-c2-orcasp 9c-etjohnphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1799.40380056; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-03-c1/3h-ptbu3-03-c1-orcasp 3h-ptbu3-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1652.04991088; Eh | |||
 | 26-Jan-2025 | /base-catalysis/base-catalysis-02-ts-naphboh3-ts1/base-catalysis-02-ts-naphboh3-ts1-opt base-catalysis-02-ts-naphboh3-ts1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -712.863476609; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6ome02-ts-rxt-c1/3h-ptbu3-6ome02-ts-rxt-c1-opt 3h_ptbu3_6ome02_ts_rxt_c1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1768.15956903; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-08-c3-boh3/3t-tbujohnphos-08-c3-boh3-opt 3t-tbujohnphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.52040337; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-85-c2dim/3h-ptbu3-85-c2dim-opt 3h-ptbu3-85-c2dim-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2803.75112695; Eh | |||
 | 26-Jan-2025 | /3aa-adbrettphos/3aa-adbrettphos-05-c2/3aa-adbrettphos-05-c2-opt 3aa-adbrettphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3003.61233618; Eh |
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