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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /unlig-pdoh2/unlig-pdoh2-02-ts-rxt-int1 unlig-pdoh2-02-ts-rxt-int1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1401.02148822; Eh | |||
 | 7-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-17-ts-t2-t3 3k-tbujohnphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.47009599; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-25-ts-t5-t6 3r-adbrettphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3079.85830697; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-16-t2-h2o 2f-pcpt3-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1844.31965177; Eh | |||
 | 7-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-40-ts-t2-p1 3k-tbujohnphos-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3076.10669523; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-56-oh-ref 2j-ptbu3-56-oh-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1168.71811780; Eh | |||
 | 7-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-20-ts-t3-t4 3k-tbujohnphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1782.41220158; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-03-c1 3p-me4tbuxphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2468.16654938; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-00-lpdoh2 9h-pme3-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1479.88793802; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-11-c4 3l-tbumephos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1821.66257402; Eh |
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