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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Aug-2024/3d-cyjohnphos/3d-cyjohnphos-49-t-ref 3d-cyjohnphos-49-t-ref-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1551.83967751; Eh
thumbnail.jpeg7-Aug-2024/3p-me4tbuxphos/3p-me4tbuxphos-26-t6 3p-me4tbuxphos-26-t6-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2544.50786494; Eh
thumbnail.jpeg7-Aug-2024/3e-cymephos/3e-cymephos-16-t2-h2o 3e-cymephos-16-t2-h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2228.29895739; Eh
thumbnail.jpeg7-Aug-2024/3o-tbubrettphos/3o-tbubrettphos-22-c5 3o-tbubrettphos-22-c5-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2616.21949108; Eh
thumbnail.jpeg7-Aug-2024/3g-sphos/3g-sphos-14-ts-t1-t2 3g-sphos-14-ts-t1-t2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2341.36915901; Eh
thumbnail.jpeg6-Aug-2024/9f-pcpr3/9f-pcpr3-43-t3-lig 9f-pcpr3-43-t3-lig-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2049.07654657; Eh
thumbnail.jpeg6-Aug-2024/3c-phdavephos/3c-phdavephos-01-rxt 3c-phdavephos-01-rxt-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2239.26227301; Eh
thumbnail.jpeg7-Aug-2024/3r-adbrettphos/3r-adbrettphos-05-c2 3r-adbrettphos-05-c2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-3003.61233618; Eh
thumbnail.jpeg7-Aug-2024/3p-me4tbuxphos/3p-me4tbuxphos-64-t3ob-1h2o 3p-me4tbuxphos-64-t3ob-1h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2159.36819475; Eh
thumbnail.jpeg6-Aug-2024/3b-phjohnphos/3b-phjohnphos-06-c2-h2o 3b-phjohnphos-06-c2-h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2181.89558820; Eh
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