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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-00-lpdoh2 3j-brettphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -4262.29146248; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-03-c1 9d-mejohnphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1720.99807808; Eh | |||
 | 7-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-45-p1-h2o 9c-etjohnphos-45-p1-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2586.62164766; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-02-ts-rxt-c1 3n-tbuxphos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.25193963; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-04-ts-c1-c2 2f-pcpt3-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1767.99085559; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-04-ts-c1-c2 2j-ptbu3-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1653.84213136; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-24-t5 2j-ptbu3-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1730.15890657; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-46-ub-ref 3k-tbujohnphos-46-ub-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2791.45847175; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-12-ts-rxt-t1 3l-tbumephos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1995.19491432; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-04-ts-c1-c2 3g-sphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2338.84348964; Eh |
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