1. Universitat Rovira i Virgili

Browsing by Author Strugovshchikov, Evgenii

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Showing results 37 to 56 of 400 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Mar-2024/Gas_phase HCOOH(g)-CO-stretching-10Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--29.50276971; eV
thumbnail.jpeg1-Mar-2024/Gas_phase HCOOH(g)-CO-stretching-15Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--29.26791048; eV
thumbnail.jpeg1-Mar-2024/Gas_phase HCOOH(g)-CO-stretching-20Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--28.99979530; eV
thumbnail.jpeg1-Mar-2024/Gas_phase HCOOH(g)-CO-stretching-5Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--29.67694413; eV
thumbnail.jpeg1-Mar-2024/Gas_phase HCOOH(g)-CO-stretching-m10Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--29.29815814; eV
thumbnail.jpeg1-Mar-2024/Gas_phase HCOOH(g)-CO-stretching-m15Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--28.54049020; eV
thumbnail.jpeg1-Mar-2024/Gas_phase HCOOH(g)-CO-stretching-m20Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--27.17495016; eV
thumbnail.jpeg1-Mar-2024/Gas_phase HCOOH(g)-CO-stretching-m5Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--29.65361481; eV
thumbnail.jpeg1-Mar-2024/Gas_phase O(g)Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--1.54696159; eV
thumbnail.jpeg1-Mar-2024/Gas_phase O2(g)Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--3.81428115; eV
thumbnail.jpeg1-Mar-2024/Gas_phase OH(g)Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--7.55684642; eV
thumbnail.jpeg1-Mar-2024/Metal_structures/Cu_structures Cu-bulkStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--14.91582121; eV
thumbnail.jpeg1-Mar-2024/Metal_structures/Cu_structures Cu-bulk-10Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--14.75103038; eV
thumbnail.jpeg1-Mar-2024/Metal_structures/Cu_structures Cu-bulk-15Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--14.57150515; eV
thumbnail.jpeg1-Mar-2024/Metal_structures/Cu_structures Cu-bulk-2Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--14.91195242; eV
thumbnail.jpeg1-Mar-2024/Metal_structures/Cu_structures Cu-bulk-3Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--14.90262965; eV
thumbnail.jpeg1-Mar-2024/Metal_structures/Cu_structures Cu-bulk-4Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--14.88984444; eV
thumbnail.jpeg1-Mar-2024/Metal_structures/Cu_structures Cu-bulk-5Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--14.87387585; eV
thumbnail.jpeg1-Mar-2024/Metal_structures/Cu_structures Cu-bulk-m10Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--14.65687901; eV
thumbnail.jpeg1-Mar-2024/Metal_structures/Cu_structures Cu-bulk-m15Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--14.26318927; eV
Showing results 37 to 56 of 400 < previous   next >