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Showing results 3745 to 3764 of 5692 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Oct-2022n2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-108.9596463; Eh
thumbnail.jpeg19-Oct-2022n2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-108.9596463; Eh
thumbnail.jpeg13-Feb-2023n2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-108.9596463; Eh
thumbnail.jpeg18-Oct-2022n2oBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-183.6955188; Eh
thumbnail.jpeg19-Oct-2022n2oBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-183.6955188; Eh
thumbnail.jpeg13-Feb-2023n2oBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-183.6955188; Eh
thumbnail.jpeg23-Nov-2024/N2Py2B frq_feiii-o_1_2Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N2Py2B frq_feiii-o_1_4Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N2Py2B frq_feiii-o_1_6Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N2Py2B frq_feiii-oh_2_2Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N2Py2B frq_feiii-oh_2_4Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N2Py2B frq_feiii-oh_2_6Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N2Py2B frq_feiv-o_2_1Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N2Py2B frq_feiv-o_2_3Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N2Py2B frq_feiv-o_2_5Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N2Py2B frq_feiv-oh_3_1Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N2Py2B frq_feiv-oh_3_3Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N2Py2B frq_feiv-oh_3_5Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N2Py2B opt_feiii-o_1_2Swart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N2Py2B opt_feiii-o_1_4Swart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-