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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-45-p1-h2o 9d-mejohnphos-45-p1-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2429.69695465; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-20-ts-t3-t4 3l-tbumephos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1821.64742219; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-28-xa 3p-me4tbuxphos-28-xa-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2216.14510764; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-32-ts-xb-t3 3o-tbubrettphos-32-ts-xb-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2361.38713438; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-25-ts-t5-t6 2j-ptbu3-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1728.30507089; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-10-ts-c3-c4 2j-ptbu3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1476.37047558; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-08-c3-boh3 9c-etjohnphos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1875.66986431; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-15-t2 2g-pcy3-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1883.66373711; Eh | |||
 | 7-Aug-2024 | /2c-pph3/2c-pph3-40-ts-t2-p1 2c-pph3-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2909.65405113; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-18-t3-boh3 9h-pme3-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1377.12106436; Eh |
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