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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3k-phjohnphos/3k-phjohnphos-10-ts-c3-c4/3k-phjohnphos-10-ts-c3-c4-orcasp 3k-phjohnphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1927.60765895; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-33-ts-rxt-ya/3w-tbuxphos-33-ts-rxt-ya-orcasp 3w-tbuxphos-33-ts-rxt-ya-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.60709291; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-10-ts-c3-c4/3r-xphos-10-ts-c3-c4-orcasp 3r-xphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2287.30845409; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6omee05-ec2/3h-ptbu3-6omee05-ec2-orcasp 3h_ptbu3_6omee05_ec2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2000.21029006; Eh | |||
 | 26-Jan-2025 | /unlig-pdoh2/unlig-pdoh2-16-int6c-h2o/unlig-pdoh2-16-int6c-h2o-opt unlig-pdoh2-16-int6c-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1477.41515836; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-32-ts-xb-t3/3y-me4tbuxphos-32-ts-xb-t3-opt 3y-me4tbuxphos-32-ts-xb-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2292.44346704; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-14-ts-t1-t2/3l-phdavephos-14-ts-t1-t2-opt 3l-phdavephos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2239.24360329; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-02-ts-rxt-c1/3s-brettphos-02-ts-rxt-c1-opt 3s-brettphos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.45317037; Eh | |||
 | 26-Jan-2025 | /3d-pcpt3/3d-pcpt3-02-ts-rxt-c1/3d-pcpt3-02-ts-rxt-c1-opt 3d-pcpt3-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1767.98227547; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-18-t3-boh3/3z-adjohnphos-18-t3-boh3-opt 3z-adjohnphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.16835030; Eh |
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