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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-73-ts-t4ob-t5ob/3x-tbubrettphos-73-ts-t4ob-t5ob-orcasp 3x-tbubrettphos-73-ts-t4ob-t5ob-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2537.07030128; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-72-t4-boh3h2o/3x-tbubrettphos-72-t4-boh3h2o-orcasp 3x-tbubrettphos-72-t4-boh3h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2689.61033604; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-70-t4ob-2h2o/3x-tbubrettphos-70-t4ob-2h2o-orcasp 3x-tbubrettphos-70-t4ob-2h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2689.59577821; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-74-t5ob-rh/3x-tbubrettphos-74-t5ob-rh-orcasp 3x-tbubrettphos-74-t5ob-rh-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2537.08790629; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-68-ts-t4ob-t4-4mps/3x-tbubrettphos-68-ts-t4ob-t4-4mps-opt 3x-tbubrettphos-68-ts-t4ob-t4-4mps-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2616.18672121; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-66-ts-t2-t4ob/3x-tbubrettphos-66-ts-t2-t4ob-opt 3x-tbubrettphos-66-ts-t2-t4ob-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2539.88171563; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-70-t4ob-2h2o/3x-tbubrettphos-70-t4ob-2h2o-opt 3x-tbubrettphos-70-t4ob-2h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2692.52163390; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-67-t4ob-h2o/3x-tbubrettphos-67-t4ob-h2o-opt 3x-tbubrettphos-67-t4ob-h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2616.22666748; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-69-t4-boh3/3x-tbubrettphos-69-t4-boh3-opt 3x-tbubrettphos-69-t4-boh3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2616.23612512; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-68-ts-t4ob-t4-4mps/3x-tbubrettphos-68-ts-t4ob-t4-4mps-orcasp 3x-tbubrettphos-68-ts-t4ob-t4-4mps-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2613.28623200; Eh
Results 3431-3440 of 5215 (Search time: 0.005 seconds).