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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-23-ts-c5-c6 2e-pipr3-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1612.48772204; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-20-ts-t3-t4 3n-tbuxphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2135.51614788; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-01-rxt 3k-tbujohnphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1958.17956001; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-18-t3-boh3 2j-ptbu3-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1730.18662878; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-05-c2 3j-brettphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.51999066; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-00-lpdoh2 2h-pcy2tbu-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2492.31033674; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-06-c2-h2o 3i-xphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.30888491; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-01-rxt 2g-pcy3-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1883.65832532; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-03-c1 9h-pme3-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1299.52173125; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-23-ts-c5-c6 3p-me4tbuxphos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2544.46793630; Eh |
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