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Browsing by Author Castro, Abril C.

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Showing results 1 to 20 of 213  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Aug-20211aCastro, Abril C.ADF; 2019Geometry optimizationPBETZ2P-7.77615257; Eh
thumbnail.jpeg8-Aug-20251aCastro, Abril C.Gaussian; 16; EM64L-G16RevB.01Single point StructureRCCSDGEN-699.8828664; Eh
thumbnail.jpeg8-Aug-20251aCastro, Abril C.Gaussian; 16; EM64L-G16RevB.01Geometry optimization MinimumRMP2-FCGEN-716.228829041; Eh
thumbnail.jpeg8-Aug-20251aCastro, Abril C.Gaussian; 16; EM64L-G16RevB.01Single point StructureRCCSDGEN-770.1257117; Eh
thumbnail.jpeg8-Aug-20251aCastro, Abril C.Gaussian; 16; EM64L-G16RevB.01Single point StructureRCCSDGEN-717.50577; Eh
thumbnail.jpeg8-Aug-20251aCastro, Abril C.Gaussian; 16; EM64L-G16RevB.01Geometry optimization MinimumRMP2-FCGEN-551.734344655; Eh
thumbnail.jpeg8-Aug-20251aCastro, Abril C.Gaussian; 16; EM64L-G16RevB.01Geometry optimization MinimumRMP2-FCGEN-769.048416060; Eh
thumbnail.jpeg8-Aug-20251aCastro, Abril C.Gaussian; 16; EM64L-G16RevB.01Geometry optimization MinimumRMP2-FCGEN-2450.28659419; Eh
thumbnail.jpeg8-Aug-20251aCastro, Abril C.Gaussian; 16; EM64L-G16RevB.01Geometry optimization MinimumRMP2-FCGEN-698.449588420; Eh
thumbnail.jpeg8-Aug-20251aCastro, Abril C.Gaussian; 16; EM64L-G16RevB.01Single point StructureRCCSDGEN-552.8345321; Eh
thumbnail.jpeg8-Aug-20251aCastro, Abril C.Gaussian; 16; EM64L-G16RevB.01Single point StructureRCCSDGEN-2451.5068533; Eh
thumbnail.jpeg2-Aug-20211a_aqCastro, Abril C.ADF; 2019Geometry optimizationPBETZ2P-8.01945951; Eh
thumbnail.jpeg2-Aug-20211a_aq_CB7Castro, Abril C.ADF; 2019Geometry optimizationPBETZ2P-40.13988826; Eh
thumbnail.jpeg2-Aug-20211a_aq_CB7_NMRCastro, Abril C.ADF; 2017Single point NMR--
thumbnail.jpeg2-Aug-20211a_aq_NMRCastro, Abril C.ADF; 2017Single point NMR--
thumbnail.jpeg2-Aug-20211a_CB7Castro, Abril C.ADF; 2019Geometry optimizationPBETZ2P-39.86016890; Eh
thumbnail.jpeg2-Aug-20211a_CB7_NMRCastro, Abril C.ADF; 2017Single point NMR--
thumbnail.jpeg2-Aug-20211a_NMRCastro, Abril C.ADF; 2017Single point NMR--
thumbnail.jpeg8-Aug-20251bCastro, Abril C.Gaussian; 16; EM64L-G16RevB.01Single point StructureRCCSDGEN-699.8102333; Eh
thumbnail.jpeg8-Aug-20251bCastro, Abril C.Gaussian; 16; EM64L-G16RevB.01Geometry optimization MinimumRMP2-FCGEN-2450.10946807; Eh
Showing results 1 to 20 of 213  next >