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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3z-adjohnphos/3z-adjohnphos-10-ts-c3-c4/3z-adjohnphos-10-ts-c3-c4-orcasp 3z-adjohnphos-10-ts-c3-c4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2243.40642798; Eh
thumbnail.jpeg26-Jan-2025/3z-adjohnphos/3z-adjohnphos-11-c4/3z-adjohnphos-11-c4-orcasp 3z-adjohnphos-11-c4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2243.42587016; Eh
thumbnail.jpeg26-Jan-2025/3z-adjohnphos/3z-adjohnphos-13-t1/3z-adjohnphos-13-t1-orcasp 3z-adjohnphos-13-t1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2419.09786433; Eh
thumbnail.jpeg26-Jan-2025/3z-adjohnphos/3z-adjohnphos-07-ts-c2-c3/3z-adjohnphos-07-ts-c2-c3-opt 3z-adjohnphos-07-ts-c2-c3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2498.18791948; Eh
thumbnail.jpeg26-Jan-2025/3z-adjohnphos/3z-adjohnphos-06-c2-h2o/3z-adjohnphos-06-c2-h2o-opt 3z-adjohnphos-06-c2-h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2498.19702449; Eh
thumbnail.jpeg26-Jan-2025/3z-adjohnphos/3z-adjohnphos-08-c3-boh3/3z-adjohnphos-08-c3-boh3-opt 3z-adjohnphos-08-c3-boh3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2498.20067535; Eh
thumbnail.jpeg26-Jan-2025/3z-adjohnphos/3z-adjohnphos-09-c3/3z-adjohnphos-09-c3-opt 3z-adjohnphos-09-c3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2246.13570082; Eh
thumbnail.jpeg26-Jan-2025/3z-adjohnphos/3z-adjohnphos-07-ts-c2-c3/3z-adjohnphos-07-ts-c2-c3-orcasp 3z-adjohnphos-07-ts-c2-c3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2495.39474240; Eh
thumbnail.jpeg26-Jan-2025/3z-adjohnphos/3z-adjohnphos-06-c2-h2o/3z-adjohnphos-06-c2-h2o-orcasp 3z-adjohnphos-06-c2-h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2495.40995086; Eh
thumbnail.jpeg26-Jan-2025/3z-adjohnphos/3z-adjohnphos-08-c3-boh3/3z-adjohnphos-08-c3-boh3-orcasp 3z-adjohnphos-08-c3-boh3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2495.40239255; Eh
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