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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-04-ts-c1-c2 2e-pipr3-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1536.17857538; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-34-ya 3a-iprjohnphos-34-ya-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1879.72138275; Eh | |||
 | 7-Aug-2024 | /2j-ptbu3/2j-ptbu3-22-c5 2j-ptbu3-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1730.19493488; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-22-c5 3n-tbuxphos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.59711129; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-16-t2-h2o 2i-ptbu2cy-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1805.54155228; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-15-t2 3m-tbudavephos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2089.58546555; Eh | |||
 | 7-Aug-2024 | /2j-ptbu3/2j-ptbu3-20-ts-t3-t4 2j-ptbu3-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1478.10079284; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-08-c3-boh3 3b-phjohnphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2181.89756128; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-05-c2 2d-potol3-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1992.68219468; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-09-c3 2i-ptbu2cy-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1555.44113594; Eh |
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