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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-12-ts-rxt-t1 9f-pcpr3-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1532.49270650; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-77-ts-hc2-hc3 2j-ptbu3-77-ts-hc2-hc3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1962.71345303; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-02-ts-rxt-c1 3i-xphos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2465.82129843; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-14-ts-t1-t2 9a-cbujohnphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1953.61720229; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-33-ts-rxt-ya 3j-brettphos-33-ts-rxt-ya-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.43989935; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-30-ts-t2-xb 3n-tbuxphos-30-ts-t2-xb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.61683969; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-44-ts-t3-p1 9e-pcbu3-44-ts-t3-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2282.12435821; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-05-c2 3j-brettphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.49666608; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-12-ts-rxt-t1 3p-me4tbuxphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2468.16151114; Eh | |||
 | 7-Aug-2024 | /2d-potol3/2d-potol3-17-ts-t2-t3 2d-potol3-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.92721814; Eh |
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