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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Aug-2024/3a-iprjohnphos/3a-iprjohnphos-01-rxt 3a-iprjohnphos-01-rxt-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1879.72528986; Eh
thumbnail.jpeg6-Aug-2024/unlig-pdoh2/unlig-pdoh2-01-rxt unlig-pdoh2-01-rxt-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1401.04529526; Eh
thumbnail.jpeg6-Aug-2024/3p-me4tbuxphos/3p-me4tbuxphos-30-ts-t2-xb 3p-me4tbuxphos-30-ts-t2-xb-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2465.29148125; Eh
thumbnail.jpeg6-Aug-2024/9b-cptjohnphos/9b-cptjohnphos-44-ts-t3-p1 9b-cptjohnphos-44-ts-t3-p1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-3049.27167997; Eh
thumbnail.jpeg6-Aug-2024/3p-me4tbuxphos/3p-me4tbuxphos-25-ts-t5-t6 3p-me4tbuxphos-25-ts-t5-t6-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2541.52098176; Eh
thumbnail.jpeg6-Aug-2024/3n-tbuxphos/3n-tbuxphos-59-ts-t2-t3rh 3n-tbuxphos-59-ts-t2-t3rh-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2308.59135838; Eh
thumbnail.jpeg6-Aug-2024/3a-iprjohnphos/3a-iprjohnphos-02-ts-rxt-c1 3a-iprjohnphos-02-ts-rxt-c1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1879.69884940; Eh
thumbnail.jpeg6-Aug-2024/3d-cyjohnphos/3d-cyjohnphos-03-c1 3d-cyjohnphos-03-c1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2112.73739546; Eh
thumbnail.jpeg6-Aug-2024/2i-ptbu2cy/2i-ptbu2cy-15-t2 2i-ptbu2cy-15-t2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1731.16283676; Eh
thumbnail.jpeg6-Aug-2024/2e-pipr3/2e-pipr3-24-t5 2e-pipr3-24-t5-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1612.48667720; Eh
Results 1521-1530 of 5823 (Search time: 0.003 seconds).