Browsing by Author Nelson, David

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Oct-2021/ArX 2-pyClNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-707.7591977; Eh
thumbnail.jpeg12-Oct-2021/ArX 3-pyClNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-707.754282; Eh
thumbnail.jpeg12-Oct-2021/ArX 4-pyClNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-707.7555548; Eh
thumbnail.jpeg12-Oct-2021/ArX PhClNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-691.7159853; Eh
thumbnail.jpeg12-Oct-2021/COD CODNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-311.8618736; Eh
thumbnail.jpeg12-Oct-2021/Dimer_Pathway 3-ClNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-7690.3036531; Eh
thumbnail.jpeg12-Oct-2021/Dimer_Pathway CNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-5474.1915937; Eh
thumbnail.jpeg12-Oct-2021/Dimer_Pathway C_alt_isomer2Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-5474.1880022; Eh
thumbnail.jpeg12-Oct-2021/Dimer_Pathway DNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-10948.4188335; Eh
thumbnail.jpeg12-Oct-2021/Dimer_Pathway ENelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-10948.3932629; Eh
thumbnail.jpeg12-Oct-2021/Dimer_Pathway FNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-10948.3944114; Eh
thumbnail.jpeg12-Oct-2021/Dimer_Pathway GNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-7690.241448; Eh
Login required31-Mar-2021/dnppe A_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-3978.64383; Eh
Login required31-Mar-2021/dnppe B_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-3978.629162; Eh
Login required31-Mar-2021/dnppe C-D-TS_(M06)_(open_shell_singlet)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUM066-311+G(D,P) GENECP-4221.4994152; Eh
Login required31-Mar-2021/dnppe C-D-TS_(M06)_(triplet)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUM066-311+G(D,P) GENECP-4221.4975946; Eh
Login required31-Mar-2021/dnppe C_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-4221.5214778; Eh
Login required31-Mar-2021/dnppe D_(M06)_(open_shell_singlet)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUM066-311+G(D,P) GENECP-4221.5121103; Eh
Login required31-Mar-2021/dnppe D_(M06)_(triplet)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUM066-311+G(D,P) GENECP-4221.5112298; Eh
Login required31-Mar-2021/dnppe dnppe_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-1235.1705207; Eh