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Showing results 170 to 189 of 199 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Oct-2020TS_C70_alphaArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4065991; Eh
Login required22-Oct-2020TS_C70_alphaArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4065991; Eh
Login required22-Oct-2020TS_C70_alpha_bisArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4036364; Eh
thumbnail.jpeg22-Oct-2020TS_C70_alpha_bisArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4036364; Eh
Login required22-Oct-2020TS_C70_alpha_bisArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4036364; Eh
Login required22-Oct-2020TS_C70_betaArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4041852; Eh
thumbnail.jpeg22-Oct-2020TS_C70_betaArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4041852; Eh
Login required22-Oct-2020TS_C70_betaArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06CC-PVTZ-3851.0584416; Eh
thumbnail.jpeg27-Feb-2024TSA10A11diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPCC-PVDZ GEN-3804.30014030; Eh
thumbnail.jpeg27-Feb-2024TSA11diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPCC-PVDZ GEN-2644.56460106; Eh
thumbnail.jpeg27-Feb-2024TSA1A2diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPCC-PVDZ GEN-2767.79161163; Eh
thumbnail.jpeg27-Feb-2024TSA1A2Primdiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPCC-PVDZ GEN-2767.78475570; Eh
thumbnail.jpeg27-Feb-2024TSA3A4diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPCC-PVDZ GEN-2767.83072965; Eh
thumbnail.jpeg27-Feb-2024TSA3A4Primdiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPCC-PVDZ GEN-2767.81959780; Eh
thumbnail.jpeg27-Feb-2024TSA4A5Primdiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPCC-PVDZ GEN-2767.80291627; Eh
thumbnail.jpeg27-Feb-2024TSA4BHdiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPCC-PVDZ GEN-2767.80451189; Eh
thumbnail.jpeg27-Feb-2024TSA4Rediaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPCC-PVDZ GEN-2767.81801356; Eh
thumbnail.jpeg27-Feb-2024TSA5A6diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPCC-PVDZ GEN-3060.31951620; Eh
thumbnail.jpeg27-Feb-2024TSA6A7diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPCC-PVDZ GEN-3060.31759358; Eh
thumbnail.jpeg27-Feb-2024TSA8A9diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPCC-PVDZ GEN-3804.28685352; Eh
Showing results 170 to 189 of 199 < previous   next >