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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6ome10-ts-c3-c4/3t-tbujohnphos-6ome10-ts-c3-c4-opt 3t_tbujohnphos_6ome10_ts_c3_c4Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1896.72570663; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6ome07-ts-c2-c3/3t-tbujohnphos-6ome07-ts-c2-c3-opt 3t_tbujohnphos_6ome07_ts_c2_c3Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2148.82368753; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6ome08-c3-boh3/3t-tbujohnphos-6ome08-c3-boh3-opt 3t_tbujohnphos_6ome08_c3_boh3Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2148.83411015; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6ome11-c4/3t-tbujohnphos-6ome11-c4-opt 3t_tbujohnphos_6ome11_c4Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1896.74209987; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6ome09-c3/3t-tbujohnphos-6ome09-c3-opt 3t_tbujohnphos_6ome09_c3Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1896.77285221; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6ome10-ts-c3-c4/3t-tbujohnphos-6ome10-ts-c3-c4-orcasp 3t_tbujohnphos_6ome10_ts_c3_c4Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1894.56613195; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6ome07-ts-c2-c3/3t-tbujohnphos-6ome07-ts-c2-c3-orcasp 3t_tbujohnphos_6ome07_ts_c2_c3Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2146.54912482; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6ome08-c3-boh3/3t-tbujohnphos-6ome08-c3-boh3-orcasp 3t_tbujohnphos_6ome08_c3_boh3Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2146.55771593; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6ome09-c3/3t-tbujohnphos-6ome09-c3-orcasp 3t_tbujohnphos_6ome09_c3Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1894.62222424; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6ome04-ts-c1-c2/3t-tbujohnphos-6ome04-ts-c1-c2-opt 3t_tbujohnphos_6ome04_ts_c1_c2Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2072.46912334; Eh
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