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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-23-ts-c5-c6/3x-tbubrettphos-23-ts-c5-c6-opt 3x-tbubrettphos-23-ts-c5-c6-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2616.17848094; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-25-ts-t5-t6/3x-tbubrettphos-25-ts-t5-t6-opt 3x-tbubrettphos-25-ts-t5-t6-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2616.17787456; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-26-t6/3x-tbubrettphos-26-t6-opt 3x-tbubrettphos-26-t6-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2616.20503922; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-24-t5/3x-tbubrettphos-24-t5-opt 3x-tbubrettphos-24-t5-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2616.19264581; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-22-c5/3x-tbubrettphos-22-c5-opt 3x-tbubrettphos-22-c5-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2616.21949108; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-23-ts-c5-c6/3x-tbubrettphos-23-ts-c5-c6-orcasp 3x-tbubrettphos-23-ts-c5-c6-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2613.27637845; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-25-ts-t5-t6/3x-tbubrettphos-25-ts-t5-t6-orcasp 3x-tbubrettphos-25-ts-t5-t6-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2613.28694467; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-22-c5/3x-tbubrettphos-22-c5-orcasp 3x-tbubrettphos-22-c5-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2613.33177443; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-24-t5/3x-tbubrettphos-24-t5-orcasp 3x-tbubrettphos-24-t5-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2613.31780351; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-20-ts-t3-t4/3x-tbubrettphos-20-ts-t3-t4-opt 3x-tbubrettphos-20-ts-t3-t4-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2364.14029125; Eh
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