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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-79-t5ob-2h2o/3w-tbuxphos-79-t5ob-2h2o-orcasp 3w-tbuxphos-79-t5ob-2h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2076.49199393; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-78-t6ob/3w-tbuxphos-78-t6ob-orcasp 3w-tbuxphos-78-t6ob-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2000.23874031; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-73-ts-t4ob-t5ob/3w-tbuxphos-73-ts-t4ob-t5ob-opt 3w-tbuxphos-73-ts-t4ob-t5ob-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2311.28642287; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-72-t4-boh3h2o/3w-tbuxphos-72-t4-boh3h2o-opt 3w-tbuxphos-72-t4-boh3h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2463.92021023; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-76-t5ob-1h2o/3w-tbuxphos-76-t5ob-1h2o-opt 3w-tbuxphos-76-t5ob-1h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2002.45463674; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-74-t5ob-rh/3w-tbuxphos-74-t5ob-rh-opt 3w-tbuxphos-74-t5ob-rh-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2311.29897219; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-75-t5ob/3w-tbuxphos-75-t5ob-opt 3w-tbuxphos-75-t5ob-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1926.13606699; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-73-ts-t4ob-t5ob/3w-tbuxphos-73-ts-t4ob-t5ob-orcasp 3w-tbuxphos-73-ts-t4ob-t5ob-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2308.63956975; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-72-t4-boh3h2o/3w-tbuxphos-72-t4-boh3h2o-orcasp 3w-tbuxphos-72-t4-boh3h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2461.17626414; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-74-t5ob-rh/3w-tbuxphos-74-t5ob-rh-orcasp 3w-tbuxphos-74-t5ob-rh-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2308.65154295; Eh
Results 3541-3550 of 5215 (Search time: 0.004 seconds).