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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6cne02-ts-ecrxt-ec1/3h-ptbu3-6cne02-ts-ecrxt-ec1-opt 3h_ptbu3_6cne02_ts_ecrxt_ec1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1980.11420062; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-44-ts-t3-p1/3j-iprjohnphos-44-ts-t3-p1-opt 3j-iprjohnphos-44-ts-t3-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2743.47481491; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-75-t5ob/3w-tbuxphos-75-t5ob-opt 3w-tbuxphos-75-t5ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1926.13606699; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-14-ts-t1-t2/3j-iprjohnphos-14-ts-t1-t2-orcasp 3j-iprjohnphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1877.68762934; Eh | |||
 | 26-Jan-2025 | /9e-pcbu3/9e-pcbu3-04-ts-c1-c2/9e-pcbu3-04-ts-c1-c2-orcasp 9e-pcbu3-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1648.45311588; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6cn09-c3/3t-tbujohnphos-6cn09-c3-orcasp 3t_tbujohnphos_6cn09_c3 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1872.40103645; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-09-c3/3y-me4tbuxphos-09-c3-orcasp 3y-me4tbuxphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2289.64380979; Eh | |||
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-05-c2/3x-tbubrettphos-05-c2-orcasp 3x-tbubrettphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2537.09513130; Eh | |||
 | 26-Jan-2025 | /3g-ptbu2cy/3g-ptbu2cy-09-c3/3g-ptbu2cy-09-c3-orcasp 3g-ptbu2cy-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1553.62687172; Eh | |||
 | 26-Jan-2025 | /3d-pcpt3/3d-pcpt3-41-p1-boh3/3d-pcpt3-41-p1-boh3-opt 3d-pcpt3-41-p1-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2695.85591012; Eh |
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