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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-09-c3 2f-pcpt3-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1592.28777346; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-15-t2 2e-pipr3-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1536.19472746; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-03-c1 2g-pcy3-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1885.71928873; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-02-ts-rxt-c1 9c-etjohnphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1799.33060738; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-50-cl-ref 2j-ptbu3-50-cl-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1904.64522239; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-09-c3 3o-tbubrettphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2361.40959278; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-22-c5 2j-ptbu3-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1728.35973110; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-21-t4 9d-mejohnphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1545.35757041; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-14-ts-t1-t2 3j-brettphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.46833363; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-17-ts-t2-t3 9c-etjohnphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1877.55463165; Eh |
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