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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-11-c4 3j-brettphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2518.73204185; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-84-lig 2j-ptbu3-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -813.629468256; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-19-t3 9e-pcbu3-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1474.47059396; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-25-ts-t5-t6 2c-pph3-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1949.21377825; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-14-ts-t1-t2 2j-ptbu3-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1653.84649085; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-10-ts-c3-c4 2f-pcpt3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1592.24499978; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-01-rxt 3o-tbubrettphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.90596022; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-02-ts-rxt-c1 2j-ptbu3-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1652.05185959; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-04-ts-c1-c2 2i-ptbu2cy-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1729.24166611; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-07-ts-c2-c3 3j-brettphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.74687179; Eh |
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