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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Jul-2022/Water/mPW1PW91_6-31+G(d,p) TS4Soysal, Esra NurGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRmPW1PW916-31+G(D,P)-1264.57382810; Eh
thumbnail.jpeg1-Dec-2022DEts_Ole13cattoPretaxTS_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRmPW1PW916-31+G(D,P)-1248.70123499; Eh
thumbnail.jpeg1-Dec-2022BHts_PrePrePreamrynCat12MeShiftTSsecond_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRmPW1PW916-31+G(D,P)-1248.69388512; Eh
thumbnail.jpeg1-Dec-2022CDts_Ole13cat12HshiftTS_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRmPW1PW916-31+G(D,P)-1248.71440201; Eh
thumbnail.jpeg1-Dec-2022ACts_Lup20catShiftTS_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRmPW1PW916-31+G(D,P)-1248.67045153; Eh
thumbnail.jpeg1-Dec-2022HIts_PrePreamrynCattoPrePrePre_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRmPW1PW916-31+G(D,P)-1248.68909619; Eh
thumbnail.jpeg15-Jul-2022/Chloroform/mPW1PW91_6-31+G(d,p) TS2Soysal, Esra NurGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRmPW1PW916-31+G(D,P)-1264.54953585; Eh
thumbnail.jpeg15-Jul-2022/Chloroform/mPW1PW91_6-31+G(d,p) TS4Soysal, Esra NurGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRmPW1PW916-31+G(D,P)-1264.55861767; Eh
thumbnail.jpeg15-Jul-2022/Chloroform/mPW1PW91_6-31+G(d,p) TS3Soysal, Esra NurGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRmPW1PW916-31+G(D,P)-1264.56318696; Eh
thumbnail.jpeg15-Jul-2022/Theozyme Theozyme_TS-6Soysal, Esra NurGaussian; 09; EM64L-G09RevB.01Geometry optimization TSRmPW1PW916-31+G(D,P)-
Results 11-20 of 66 (Search time: 0.002 seconds).