Browsing by Author Ruiz, Andrea

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 21 to 40 of 1403 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Jul-2020AC_TS_CH3BrRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--701.48330926; eV
thumbnail.jpeg31-Jul-2020AC_TS_HBrRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--707.88193149; eV
thumbnail.jpeg10-Mar-2023Br-3xN5Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--635.48073713; eV
thumbnail.jpeg10-Mar-2023Br-ECNRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1907.09784036; eV
thumbnail.jpeg10-Mar-2023Br-PTIRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1700.47117785; eV
thumbnail.jpeg21-Nov-2022C2H2-Cu-CuCl-epo2Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2044.49336426; eV
Login required10-Jul-2023c2h2-edge-co-5-MBRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2377.67727594; eV
Login required10-Jul-2023c2h2-edge-co-6-MBRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2377.67433012; eV
Login required10-Jul-2023c2h2-edge-cooh-5-MBRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2398.14272637; eV
Login required10-Jul-2023c2h2-edge-cooh-6-MBRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2397.82693441; eV
Login required10-Jul-2023c2h2-epo2-5-MBRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2039.24193647; eV
Login required10-Jul-2023c2h2-epo2-6-MBRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2038.34041477; eV
Login required10-Jul-2023c2h2-keto2-5-MBRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1997.23155034; eV
Login required10-Jul-2023c2h2-keto2-6-MBRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1997.45338707; eV
Login required10-Jul-2023c2h2-keto4-5-MBRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1971.38966285; eV
Login required10-Jul-2023c2h2-keto4-6-MBRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1971.39647962; eV
Login required10-Jul-2023c2h2-Pt-edge-co-on-PtRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2382.31630712; eV
Login required10-Jul-2023c2h2-Pt-epo2-on-PtRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2043.92338697; eV
Login required10-Jul-2023c2h2-Pt-keto2-on-PtRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2002.72371399; eV
Login required10-Jul-2023c2h2-Pt-keto4-on-PtRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1978.39048494; eV