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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Jul-2022/Theozyme intermediate_4Soysal, Esra NurGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-1341.03949203; Eh
thumbnail.jpeg15-Jul-2022/Theozyme intermediate_3Soysal, Esra NurGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-1341.03947550; Eh
thumbnail.jpeg15-Jul-2022/Theozyme Theozyme_TS-1Soysal, Esra NurGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRmPW1PW916-31+G(D,P)-1340.98964424; Eh
thumbnail.jpeg15-Jul-2022/Theozyme Theozyme_TS-2Soysal, Esra NurGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRmPW1PW916-31+G(D,P)-1340.98987110; Eh
thumbnail.jpeg15-Jul-2022/Water/mPW1PW91_6-31+G(d,p) TS3Soysal, Esra NurGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRmPW1PW916-31+G(D,P)-1264.57849983; Eh
thumbnail.jpeg15-Jul-2022/Chloroform/mPW1PW91_6-31+G(d,p) intermediate_A2Soysal, Esra NurGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-1264.59841533; Eh
thumbnail.jpeg15-Jul-2022/Chloroform/mPW1PW91_6-31+G(d,p) intermediate_ASoysal, Esra NurGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-1341.00695025; Eh
thumbnail.jpeg15-Jul-2022/Chloroform/mPW1PW91_6-31+G(d,p) intermediate_BSoysal, Esra NurGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-1264.57152917; Eh
thumbnail.jpeg15-Jul-2022/Theozyme Theozyme_TS-7Soysal, Esra NurGaussian; 09; EM64L-G09RevB.01Geometry optimization TSRmPW1PW916-31+G(D,P)-1496.77931112; Eh
thumbnail.jpeg15-Jul-2022/Theozyme intermediate_7Soysal, Esra NurGaussian; 09; EM64L-G09RevB.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-
Results 1-10 of 82 (Search time: 0.001 seconds).