Browsing by Title

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 19307 to 19326 of 62969 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-8l-CO-T-U-1_75-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--132.48487142; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-8l-CO-T-U-1_75-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--132.35787207; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-8l-CO-T-U-2_00-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--132.35004301; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-8l-CO-T-U-2_00-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--132.17917804; eV
thumbnail.jpeg11-Feb-2019hyd_dimer_1Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1918.37631416; eV
thumbnail.jpeg11-Feb-2019hyd_dimer_2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1918.23834134; eV
thumbnail.jpeg11-Feb-2019hyd_dimer_3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1918.34226595; eV
thumbnail.jpeg11-Feb-2019hyd_dimer_4Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1999.52733477; eV
thumbnail.jpeg11-Feb-2019hyd_dimer_5Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2000.71500133; eV
thumbnail.jpeg11-Feb-2019hyd_dimer_6Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2001.10103553; eV
thumbnail.jpeg11-Feb-2019hyd_dimer_7Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2000.91559058; eV
thumbnail.jpeg11-Feb-2019hyd_dimer_ts1Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1917.78126376; eV
thumbnail.jpeg11-Feb-2019hyd_dimer_ts2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1917.43961976; eV
thumbnail.jpeg11-Feb-2019hyd_dimer_ts3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1998.58046890; eV
thumbnail.jpeg11-Feb-2019hyd_dimer_ts4Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2000.01868617; eV
thumbnail.jpeg11-Feb-2019hyd_dimer_ts5Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2000.56872960; eV
thumbnail.jpeg11-Feb-2019hyd_mono_1Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1914.03831201; eV
thumbnail.jpeg11-Feb-2019hyd_mono_3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1913.88865492; eV
thumbnail.jpeg11-Feb-2019hyd_mono_4Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1994.69153441; eV
thumbnail.jpeg11-Feb-2019hyd_mono_5Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1995.36434339; eV