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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-May-2021/NBO pOiPr_Ei_TS_NBOIeritano, ChristianGaussian; 16; ES64L-G16RevC.01Single point StructureRwB97XDDEF2TZVPP-
thumbnail.jpeg7-May-2021/NBO pOEt_Ei_TS_NBOIeritano, ChristianGaussian; 16; ES64L-G16RevC.01Single point StructureRwB97XDDEF2TZVPP-
thumbnail.jpeg7-May-2021/NBO pOtBu_Ei_TS_NBOIeritano, ChristianGaussian; 16; ES64L-G16RevC.01Single point StructureRwB97XDDEF2TZVPP-
thumbnail.jpeg11-Feb-2022Cartesian_coordinates_of_Complex_A-1_(solution_phase)OH, Young-HoGaussian; 09; EM64L-G09RevA.02Single point StructureRwB97XD6-31G(D)-
thumbnail.jpeg11-Feb-2022Cartesian_coordinates_of_Complex_III_(gas_phase)OH, Young-HoGaussian; 09; EM64L-G09RevA.02Single point StructureRwB97XD6-311G(D,P)-
thumbnail.jpeg11-Feb-2022Cartesian_coordinates_of_Complex_A_(solution_phase)OH, Young-HoGaussian; 09; EM64L-G09RevA.02Single point StructureRwB97XD6-31G(D)-
thumbnail.jpeg11-Feb-2022Cartesian_coordinates_of_Complex_II_(gas_phase)OH, Young-HoGaussian; 09; EM64L-G09RevA.02Single point StructureRwB97XD6-311G(D,P)-
thumbnail.jpeg11-Feb-2022Cartesian_coordinates_of_Complex_I_(gas_phase)OH, Young-HoGaussian; 09; EM64L-G09RevA.02Single point StructureRwB97XD6-311G(D,P)-
thumbnail.jpeg2-Mar-202231-33-TSS-SLaconsay, CroixGaussian; 16; ES64L-G16RevC.01Single point StructureRwB97XD6-311++G(D,P)-
thumbnail.jpeg2-Mar-202231-35-TSS-SLaconsay, CroixGaussian; 16; ES64L-G16RevC.01Single point StructureRwB97XD6-311++G(D,P)-
Results 1-10 of 49 (Search time: 0.002 seconds).