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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3o-davephos/3o-davephos-17-ts-t2-t3/3o-davephos-17-ts-t2-t3-orcasp 3o-davephos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2320.19935321; Eh | |||
 | 26-Jan-2025 | /unlig-pdoh2/unlig-pdoh2-32-rmurxt/unlig-pdoh2-32-rmurxt-orcasp unlig-pdoh2-32-rmurxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1678.27605681; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-20-ts-t3-t4/3p-sphos-20-ts-t3-t4-orcasp 3p-sphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2163.17980838; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-18-t3-boh3/3w-tbuxphos-18-t3-boh3-orcasp 3w-tbuxphos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.90497431; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-03-c1/3t-tbujohnphos-03-c1-orcasp 3t-tbujohnphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1956.00983777; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-99-lig/3p-sphos-99-lig-orcasp 3p-sphos-99-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1499.74414750; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-25-ts-t5-t6/3z-adjohnphos-25-ts-t5-t6-opt 3z-adjohnphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.14463828; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-35-ts-ya-c1/3m-cyjohnphos-35-ts-ya-c1-opt 3m-cyjohnphos-35-ts-ya-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.72544456; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-05-c2/3h-ptbu3-05-c2-opt 3h-ptbu3-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1653.90323668; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-03-c1/3a-pph3-03-c1-opt 3a-pph3-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1874.92178990; Eh |
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