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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-93-hc3/3h-ptbu3-93-hc3-opt 3h-ptbu3-93-hc3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1962.73625089; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-37-yb/3r-xphos-37-yb-opt 3r-xphos-37-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2542.17105570; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6ome10-ts-c3-c4/3m-cyjohnphos-6ome10-ts-c3-c4-orcasp 3m_cyjohnphos_6ome10_ts_c3_c4 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2048.95474053; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-25-ts-t5-t6/3t-tbujohnphos-25-ts-t5-t6-orcasp 3t-tbujohnphos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2032.26555348; Eh | |||
 | 26-Jan-2025 | /3q-ruphos/3q-ruphos-25-ts-t5-t6/3q-ruphos-25-ts-t5-t6-orcasp 3q-ruphos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2571.83162432; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cne12-etrxt/3e-pcy3-6cne12-etrxt-orcasp 3e_pcy3_6cne12_etrxt | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2209.53228883; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-01-rxt/3l-phdavephos-01-rxt-orcasp 3l-phdavephos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2236.84021124; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-19-t3/3i-pad3-19-t3-orcasp 3i-pad3-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2171.02170765; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-23-ts-c5-c6/3j-iprjohnphos-23-ts-c5-c6-opt 3j-iprjohnphos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1956.02049687; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6omee12-etrxt/3t-tbujohnphos-6omee12-etrxt-opt 3t_tbujohnphos_6omee12_etrxt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2306.68159460; Eh |
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