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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6cne05-ec2/3h-ptbu3-6cne05-ec2-opt 3h_ptbu3_6cne05_ec2 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1980.17656291; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-08-c3-boh3/3p-sphos-08-c3-boh3-opt 3p-sphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.73797168; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-03-c1/9d-mejohnphos-03-c1-opt 9d-mejohnphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1722.79519004; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-11-c4/3r-xphos-11-c4-opt 3r-xphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2290.10236443; Eh | |||
 | 26-Jan-2025 | /9e-pcbu3/9e-pcbu3-44-ts-t3-p1/9e-pcbu3-44-ts-t3-p1-orcasp 9e-pcbu3-44-ts-t3-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2282.12435821; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-16-t2-h2o/9c-etjohnphos-16-t2-h2o-orcasp 9c-etjohnphos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1875.63439572; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6cn15-t2/3t-tbujohnphos-6cn15-t2-orcasp 3t_tbujohnphos_6cn15_t2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2048.06030699; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-91-hc2/3e-pcy3-91-hc2-orcasp 3e-pcy3-91-hc2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2192.07147190; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-64-ts-t3ob-t4ob/3y-me4tbuxphos-64-ts-t3ob-t4ob-opt 3y-me4tbuxphos-64-ts-t3ob-t4ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2468.18046939; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6omee13-ts-etrxt-et1/3e-pcy3-6omee13-ts-etrxt-et1-opt 3e_pcy3_6omee13_ts_etrxt_et1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2234.22028708; Eh |
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