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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Jul-2022/Water/M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) intermediate_A2Soysal, Esra NurGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-311+G(D,P)-1264.6638777; Eh
thumbnail.jpeg15-Jul-2022/Water/M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) intermediate_A1Soysal, Esra NurGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-311+G(D,P)-1264.6636442; Eh
thumbnail.jpeg15-Jul-2022/Water/M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) intermediate_ASoysal, Esra NurGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-311+G(D,P)-1341.0811223; Eh
thumbnail.jpeg15-Jul-2022/Water/M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) intermediate_BSoysal, Esra NurGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-311+G(D,P)-1264.6181793; Eh
thumbnail.jpeg15-Jul-2022/Water/M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) intermediate_CSoysal, Esra NurGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-311+G(D,P)-1264.6679998; Eh
thumbnail.jpeg15-Jul-2022/Water/M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) intermediate_DSoysal, Esra NurGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-311+G(D,P)-1568.9527492; Eh
thumbnail.jpeg15-Jul-2022/Water/M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) TS4Soysal, Esra NurGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-311+G(D,P)-1264.6094514; Eh
thumbnail.jpeg15-Jul-2022/Water/M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) TS5Soysal, Esra NurGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-311+G(D,P)-1568.812444; Eh
thumbnail.jpeg15-Jul-2022/Water/M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) TS3Soysal, Esra NurGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-311+G(D,P)-1264.6177586; Eh
thumbnail.jpeg15-Jul-2022/Water/M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) TS1Soysal, Esra NurGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-311+G(D,P)-1341.0584265; Eh
Results 1-10 of 11 (Search time: 0.0 seconds).