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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-09-c3/3x-tbubrettphos-09-c3-opt 3x-tbubrettphos-09-c3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2364.17499819; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-12-ts-rxt-t1/3x-tbubrettphos-12-ts-rxt-t1-orcasp 3x-tbubrettphos-12-ts-rxt-t1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2537.04211886; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-10-ts-c3-c4/3x-tbubrettphos-10-ts-c3-c4-orcasp 3x-tbubrettphos-10-ts-c3-c4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2361.35333929; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-08-c3-boh3/3x-tbubrettphos-08-c3-boh3-orcasp 3x-tbubrettphos-08-c3-boh3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2613.35045226; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-11-c4/3x-tbubrettphos-11-c4-orcasp 3x-tbubrettphos-11-c4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2361.37309727; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-09-c3/3x-tbubrettphos-09-c3-orcasp 3x-tbubrettphos-09-c3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2361.40959278; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-04-ts-c1-c2/3x-tbubrettphos-04-ts-c1-c2-opt 3x-tbubrettphos-04-ts-c1-c2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2539.86525942; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-07-ts-c2-c3/3x-tbubrettphos-07-ts-c2-c3-opt 3x-tbubrettphos-07-ts-c2-c3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2616.22637173; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-06-c2-h2o/3x-tbubrettphos-06-c2-h2o-opt 3x-tbubrettphos-06-c2-h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2616.23703396; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-08-c3-boh3/3x-tbubrettphos-08-c3-boh3-opt 3x-tbubrettphos-08-c3-boh3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2616.23640082; Eh
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