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Browsing by Author Ser, Cher Tian

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Showing results 5419 to 5438 of 5754 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Aug-2024/9h-pme3/9h-pme3-42-p1 9h-pme3-42-p1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1509.39563329; Eh
thumbnail.jpeg6-Aug-2024/9h-pme3/9h-pme3-42-p1 9h-pme3-42-p1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1508.04222380; Eh
thumbnail.jpeg26-Jan-2025/9h-pme3/9h-pme3-42-p1/9h-pme3-42-p1-opt 9h-pme3-42-p1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1509.39563329; Eh
thumbnail.jpeg26-Jan-2025/9h-pme3/9h-pme3-42-p1/9h-pme3-42-p1-orcasp 9h-pme3-42-p1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1508.04222380; Eh
thumbnail.jpeg6-Aug-2024/9h-pme3/9h-pme3-43-t3-lig 9h-pme3-43-t3-lig-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1585.65763272; Eh
thumbnail.jpeg6-Aug-2024/9h-pme3/9h-pme3-43-t3-lig 9h-pme3-43-t3-lig-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1584.26185079; Eh
thumbnail.jpeg26-Jan-2025/9h-pme3/9h-pme3-43-t3-lig/9h-pme3-43-t3-lig-opt 9h-pme3-43-t3-lig-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1585.65763272; Eh
thumbnail.jpeg26-Jan-2025/9h-pme3/9h-pme3-43-t3-lig/9h-pme3-43-t3-lig-orcasp 9h-pme3-43-t3-lig-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1584.26185079; Eh
thumbnail.jpeg7-Aug-2024/9h-pme3/9h-pme3-44-ts-t3-p1 9h-pme3-44-ts-t3-p1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1585.64462879; Eh
thumbnail.jpeg6-Aug-2024/9h-pme3/9h-pme3-44-ts-t3-p1 9h-pme3-44-ts-t3-p1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1584.24242013; Eh
thumbnail.jpeg26-Jan-2025/9h-pme3/9h-pme3-44-ts-t3-p1/9h-pme3-44-ts-t3-p1-opt 9h-pme3-44-ts-t3-p1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1585.64462879; Eh
thumbnail.jpeg26-Jan-2025/9h-pme3/9h-pme3-44-ts-t3-p1/9h-pme3-44-ts-t3-p1-orcasp 9h-pme3-44-ts-t3-p1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1584.24242013; Eh
thumbnail.jpeg6-Aug-2024/9h-pme3/9h-pme3-45-p1-h2o 9h-pme3-45-p1-h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1585.70299376; Eh
thumbnail.jpeg6-Aug-2024/9h-pme3/9h-pme3-45-p1-h2o 9h-pme3-45-p1-h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1584.30377554; Eh
thumbnail.jpeg26-Jan-2025/9h-pme3/9h-pme3-45-p1-h2o/9h-pme3-45-p1-h2o-opt 9h-pme3-45-p1-h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1585.70299376; Eh
thumbnail.jpeg26-Jan-2025/9h-pme3/9h-pme3-45-p1-h2o/9h-pme3-45-p1-h2o-orcasp 9h-pme3-45-p1-h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1584.30377554; Eh
thumbnail.jpeg6-Aug-2024/9h-pme3/9h-pme3-84-lig 9h-pme3-84-lig-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-460.570169365; Eh
thumbnail.jpeg6-Aug-2024/9h-pme3/9h-pme3-84-lig 9h-pme3-84-lig-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-460.38537981; Eh
thumbnail.jpeg26-Jan-2025/9h-pme3/9h-pme3-99-lig/9h-pme3-99-lig-opt 9h-pme3-99-lig-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-460.570169365; Eh
thumbnail.jpeg26-Jan-2025/9h-pme3/9h-pme3-99-lig/9h-pme3-99-lig-orcasp 9h-pme3-99-lig-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-460.38537981; Eh
Showing results 5419 to 5438 of 5754 < previous   next >