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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6omee16-et2/3e-pcy3-6omee16-et2-opt 3e_pcy3_6omee16_et2 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2234.23164135; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6omee13-ts-etrxt-et1/3e-pcy3-6omee13-ts-etrxt-et1-orcasp 3e_pcy3_6omee13_ts_etrxt_et1 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2231.73107056; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6omee15-ts-et1-et2/3e-pcy3-6omee15-ts-et1-et2-orcasp 3e_pcy3_6omee15_ts_et1_et2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2231.73007152; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6omee17-et2-h2o/3e-pcy3-6omee17-et2-h2o-orcasp 3e_pcy3_6omee17_et2_h2o | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.01284426; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6omee14-et1/3e-pcy3-6omee14-et1-orcasp 3e_pcy3_6omee14_et1 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2231.74527622; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6omee16-et2/3e-pcy3-6omee16-et2-orcasp 3e_pcy3_6omee16_et2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2231.75226168; 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 | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6omee08-ec3-bpinoh/3e-pcy3-6omee08-ec3-bpinoh-opt 3e_pcy3_6omee08_ec3_bpinoh | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2310.58473808; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6omee07-ts-ec2-ec3/3e-pcy3-6omee07-ts-ec2-ec3-opt 3e_pcy3_6omee07_ts_ec2_ec3 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2310.57613751; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6omee06-ec2-h2o/3e-pcy3-6omee06-ec2-h2o-opt 3e_pcy3_6omee06_ec2_h2o | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2310.58580676; Eh |
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