Browsing by Author Foscato, Marco

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD ethyleneFoscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGEN-78.5608785; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M1Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGENECP GEN-2227.84761489; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M10Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.2264985; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M11Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.2254798; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M12Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.2336556; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M13Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.2259243; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M14Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.2493957; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M15Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.235414; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M16Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.279929; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M17Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.258966; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M18Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.2659871; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M19Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.2187602; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M2Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-1979.5865627; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M20Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGEN-3880.67902321; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M21Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGENECP GEN-3880.66169553; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M22_singletFoscato, MarcoGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDGEN-3959.23456147; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M22_tripletFoscato, MarcoGaussian; 09; EM64L-G09RevD.01Single point StructureUwB97XDGEN-3959.23456260; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M23Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Single point MinimumUwB97XDGEN-3959.27139621; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M24Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUwB97XDGEN-3959.18581037; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M25Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUHF; UwB97XDGENECP GEN-3959.2509999; Eh