1. Barcelona Supercomputing Center

Browsing by Author Løyland, Sverre

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Showing results 1 to 20 of 53  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-May-2024C6H5+Løyland, SverreGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3LYPAUG-CC-PVTZ-231.342321340; Eh
thumbnail.jpeg31-May-2024C6H5OHLøyland, SverreGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3LYPAUG-CC-PVTZ-307.590311156; Eh
thumbnail.jpeg31-May-2024C6H5OH-i-H+Løyland, SverreGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3LYPAUG-CC-PVTZ-307.867555016; Eh
thumbnail.jpeg31-May-2024C6H5OH-i-H+-H2OLøyland, SverreGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3LYPAUG-CC-PVTZ-384.357050912; Eh
thumbnail.jpeg31-May-2024C6H5OH-i_o-H+Løyland, SverreGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUB3LYPAUG-CC-PVTZ-307.865093447; Eh
thumbnail.jpeg31-May-2024C6H5OH-i_o-H+_ircLøyland, SverreGaussian; 16; ES64L-G16RevC.01Single point Structure-AUG-CC-PVTZ-307.867548091; Eh
thumbnail.jpeg31-May-2024C6H5OH-i_Ox-H+Løyland, SverreGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUB3LYPAUG-CC-PVTZ-307.819156770; Eh
thumbnail.jpeg31-May-2024C6H5OH-i_Ox-H+_ircLøyland, SverreGaussian; 16; ES64L-G16RevC.01Single point Structure-AUG-CC-PVTZ-307.867429595; Eh
thumbnail.jpeg31-May-2024C6H5OH-m-H+Løyland, SverreGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3LYPAUG-CC-PVTZ-307.889102893; Eh
thumbnail.jpeg31-May-2024C6H5OH-m_p-H+Løyland, SverreGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUB3LYPAUG-CC-PVTZ-307.876594617; Eh
thumbnail.jpeg31-May-2024C6H5OH-m_p-H+_ircLøyland, SverreGaussian; 16; ES64L-G16RevC.01Single point Structure-AUG-CC-PVTZ-307.914168501; Eh
thumbnail.jpeg31-May-2024C6H5OH-o-H+Løyland, SverreGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3LYPAUG-CC-PVTZ-307.910528730; Eh
thumbnail.jpeg31-May-2024C6H5OH-o_m-H+Løyland, SverreGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUB3LYPAUG-CC-PVTZ-307.874568450; Eh
thumbnail.jpeg31-May-2024C6H5OH-o_m-H+_ircLøyland, SverreGaussian; 16; ES64L-G16RevC.01Single point Structure-AUG-CC-PVTZ-307.909760200; Eh
thumbnail.jpeg31-May-2024C6H5OH-Ox-H+Løyland, SverreGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3LYPAUG-CC-PVTZ-307.885229467; Eh
thumbnail.jpeg31-May-2024C6H5OH-Ox_o-H+Løyland, SverreGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUB3LYPAUG-CC-PVTZ-307.815581444; Eh
thumbnail.jpeg31-May-2024C6H5OH-Ox_o-H+_ircLøyland, SverreGaussian; 16; ES64L-G16RevC.01Single point Structure-AUG-CC-PVTZ-307.883366463; Eh
thumbnail.jpeg31-May-2024C6H5OH-p-H+Løyland, SverreGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3LYPAUG-CC-PVTZ-307.914941188; Eh
thumbnail.jpeg31-May-2024C6H6Løyland, SverreGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3LYPAUG-CC-PVTZ-232.335567968; Eh
thumbnail.jpeg31-May-2024C6H6+Løyland, SverreGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3LYPAUG-CC-PVTZ-232.000267435; Eh
Showing results 1 to 20 of 53  next >