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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Aug-2024/3p-me4tbuxphos/3p-me4tbuxphos-23-ts-c5-c6 3p-me4tbuxphos-23-ts-c5-c6-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2544.46793630; Eh
thumbnail.jpeg6-Aug-2024/2f-pcpt3/2f-pcpt3-09-c3 2f-pcpt3-09-c3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1592.28777346; Eh
thumbnail.jpeg6-Aug-2024/2e-pipr3/2e-pipr3-15-t2 2e-pipr3-15-t2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1536.19472746; Eh
thumbnail.jpeg6-Aug-2024/2g-pcy3/2g-pcy3-03-c1 2g-pcy3-03-c1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1885.71928873; Eh
thumbnail.jpeg6-Aug-2024/9c-etjohnphos/9c-etjohnphos-02-ts-rxt-c1 9c-etjohnphos-02-ts-rxt-c1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1799.33060738; Eh
thumbnail.jpeg6-Aug-2024/2j-ptbu3/2j-ptbu3-50-cl-ref 2j-ptbu3-50-cl-ref-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1904.64522239; Eh
thumbnail.jpeg6-Aug-2024/3o-tbubrettphos/3o-tbubrettphos-09-c3 3o-tbubrettphos-09-c3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2361.40959278; Eh
thumbnail.jpeg6-Aug-2024/2j-ptbu3/2j-ptbu3-22-c5 2j-ptbu3-22-c5-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1728.35973110; Eh
thumbnail.jpeg6-Aug-2024/9d-mejohnphos/9d-mejohnphos-21-t4 9d-mejohnphos-21-t4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1545.35757041; Eh
thumbnail.jpeg7-Aug-2024/3j-brettphos/3j-brettphos-14-ts-t1-t2 3j-brettphos-14-ts-t1-t2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2694.46833363; Eh
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