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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jun-2019Mo-1aArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31+G** GENECP-2123.28815542; Eh
thumbnail.jpeg27-Aug-2019Mo-4-gas-tripletArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31+G** GENECP-2487.77743547; Eh
thumbnail.jpeg4-Oct-2021/dnppe_system C-D-TS-dnppe_tripletNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUM066-311+G(D,P) GENECP-4221.5153525; Eh
thumbnail.jpeg4-Oct-2021/dnppe_system C-D-TS-dnppe_ossNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUM066-311+G(D,P) GENECP-4221.5295523; Eh
thumbnail.jpeg4-Oct-2021/dnppe_system D-dnppe_tripletNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUM066-311+G(D,P) GENECP-4221.5291114; Eh
thumbnail.jpeg4-Oct-2021/dnppe_system D-dnppe_ossNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUM066-311+G(D,P) GENECP-4221.5307747; Eh
thumbnail.jpeg4-Oct-2021/P2BMe24_system C-D-TS-P2BMe24_ossNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUM066-311+G(D,P) GENECP-5053.8245097; Eh
thumbnail.jpeg4-Oct-2021/P2BMe24_system C-D-TS-P2BMe24_tripletNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUM066-311+G(D,P) GENECP-5053.8050318; Eh
thumbnail.jpeg4-Oct-2021/P2BMe24_system D-P2BMe24_tripletNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUM066-311+G(D,P) GENECP-5053.833876; Eh
thumbnail.jpeg4-Oct-2021/P2BMe24_system D-P2BMe24_ossNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUM066-311+G(D,P) GENECP-5053.833926; Eh
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