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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Aug-2024/2i-ptbu2cy/2i-ptbu2cy-22-c5 2i-ptbu2cy-22-c5-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1807.49593062; Eh
thumbnail.jpeg7-Aug-2024/3h-ruphos/3h-ruphos-21-t4 3h-ruphos-21-t4-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2322.59899277; Eh
thumbnail.jpeg6-Aug-2024/3g-sphos/3g-sphos-19-t3 3g-sphos-19-t3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2165.64553215; Eh
thumbnail.jpeg6-Aug-2024/2h-pcy2tbu/2h-pcy2tbu-84-lig 2h-pcy2tbu-84-lig-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-967.32190680; Eh
thumbnail.jpeg6-Aug-2024/3a-iprjohnphos/3a-iprjohnphos-36-ts-rxt-yb 3a-iprjohnphos-36-ts-rxt-yb-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1956.01238120; Eh
thumbnail.jpeg6-Aug-2024/3m-tbudavephos/3m-tbudavephos-10-ts-c3-c4 3m-tbudavephos-10-ts-c3-c4-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1916.11655432; Eh
thumbnail.jpeg6-Aug-2024/9g-pet3/9g-pet3-12-ts-rxt-t1 9g-pet3-12-ts-rxt-t1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1418.48045686; Eh
thumbnail.jpeg6-Aug-2024/2j-ptbu3/2j-ptbu3-58-c2alt 2j-ptbu3-58-c2alt-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1653.89772053; Eh
thumbnail.jpeg7-Aug-2024/3o-tbubrettphos/3o-tbubrettphos-19-t3 3o-tbubrettphos-19-t3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2364.17010554; Eh
thumbnail.jpeg6-Aug-2024/3c-phdavephos/3c-phdavephos-25-ts-t5-t6 3c-phdavephos-25-ts-t5-t6-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2313.07432238; Eh
Results 1351-1360 of 5215 (Search time: 0.003 seconds).