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 2123 to 2142 of 26216 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Oct-2020/Au_Cp TSXb-XIIbArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Au_Cp XaArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Au_Cp XbArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Au_Cp XIaArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Au_Cp XIbArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Au_Cp XIIaArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Au_Cp XIIbArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg6-Mar-2018Au_din3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--1992.29794914; eV
thumbnail.jpeg6-Mar-2018Au_din4Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--1983.85840734; eV
thumbnail.jpeg6-Mar-2018Au_epoFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--2011.57995662; eV
thumbnail.jpeg6-Mar-2018Au_epo2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--2015.84146967; eV
thumbnail.jpeg28-Mar-2019/Au_facets (100)Morales, Jordivasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationDFT--221.73654385; eV
thumbnail.jpeg28-Mar-2019/Au_facets (110)Morales, Jordivasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationDFT--257.10802636; eV
thumbnail.jpeg28-Mar-2019/Au_facets (111)Morales, Jordivasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationDFT--226.96814030; eV
thumbnail.jpeg28-Mar-2019/Au_facets (32-1)Morales, Jordivasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationDFT--222.08543396; eV
thumbnail.jpeg28-Mar-2019/Au_facets (321)Morales, Jordivasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationDFT--222.08596613; eV
thumbnail.jpeg6-Mar-2018Au_graFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--2005.40257015; eV
thumbnail.jpeg6-Mar-2018Au_h-rol1_din2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--1994.59158603; eV
thumbnail.jpeg6-Mar-2018Au_h-rol3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--1982.47562937; eV
thumbnail.jpeg6-Mar-2018Au_keto2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--1975.11975632; eV