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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M82Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-1811.1435334; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M84Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-2059.3941219; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M85Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-1811.1511517; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M77Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-2002.8302739; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M90Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-1673.9787324; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M86Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-1811.1231596; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M89Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-1673.9949213; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M88Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-1922.2078013; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M4Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2606.3407086; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M5Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2628.7250562; Eh
Results 1-10 of 132 (Search time: 0.001 seconds).