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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-81-t6ob-1h2o/3x-tbubrettphos-81-t6ob-1h2o-opt 3x-tbubrettphos-81-t6ob-1h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2307.38218263; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-80-ts-t5ob-t6ob-6mps/3x-tbubrettphos-80-ts-t5ob-t6ob-6mps-orcasp 3x-tbubrettphos-80-ts-t5ob-t6ob-6mps-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2304.89006646; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-83-ts-t2-t3-6mps/3x-tbubrettphos-83-ts-t2-t3-6mps-orcasp 3x-tbubrettphos-83-ts-t2-t3-6mps-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-TZVPP/C-2689.52825539; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-82-ts-t2-t3-4mps/3x-tbubrettphos-82-ts-t2-t3-4mps-orcasp 3x-tbubrettphos-82-ts-t2-t3-4mps-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-TZVPP/C-2613.26968003; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-81-t6ob-1h2o/3x-tbubrettphos-81-t6ob-1h2o-orcasp 3x-tbubrettphos-81-t6ob-1h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2304.93463788; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-79-t5ob-2h2o/3x-tbubrettphos-79-t5ob-2h2o-orcasp 3x-tbubrettphos-79-t5ob-2h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2304.92862309; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-77-ts-t5ob-t6ob-4mps/3x-tbubrettphos-77-ts-t5ob-t6ob-4mps-opt 3x-tbubrettphos-77-ts-t5ob-t6ob-4mps-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2231.03793155; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-76-t5ob-1h2o/3x-tbubrettphos-76-t5ob-1h2o-opt 3x-tbubrettphos-76-t5ob-1h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2231.07862792; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-79-t5ob-2h2o/3x-tbubrettphos-79-t5ob-2h2o-opt 3x-tbubrettphos-79-t5ob-2h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2307.37841689; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-78-t6ob/3x-tbubrettphos-78-t6ob-opt 3x-tbubrettphos-78-t6ob-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2231.07685960; Eh
Results 3411-3420 of 5215 (Search time: 0.004 seconds).