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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-06-c2-h2o 9a-cbujohnphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2032.08883791; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-32-ts-xb-t3 3o-tbubrettphos-32-ts-xb-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2364.15196629; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-80-lpd0boh3 2j-ptbu3-80-lpd0boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1193.63710933; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-53-ts-ref 2g-pcy3-53-ts-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1631.93002881; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-09-c3 3d-cyjohnphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1937.03298135; Eh | |||
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-76-hc2 2g-pcy3-76-hc2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2194.59411879; Eh | |||
 | 7-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-39-t2-lig 3k-tbujohnphos-39-t2-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3076.13711635; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-06-c2-h2o 3m-tbudavephos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2168.22393339; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-15-t2 9a-cbujohnphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1955.75191022; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-84-lig 9d-mejohnphos-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -882.557014289; Eh |
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