1. Institute of Chemical Research of Catalonia

Browsing by Subject Zinc

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 1 to 20 of 953  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-May-2025add-postTS-2e_FREQ_acetonitrileSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ CC-PVDZ GEN-1844.97457305; Eh
thumbnail.jpeg6-May-2025add-postTS-3e_acetonitrileSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ CC-PVDZ GEN-1845.06002434; Eh
thumbnail.jpeg6-May-2025add-preTS-2e_acetonitrileSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ CC-PVDZ GEN-1844.99284974; Eh
thumbnail.jpeg6-May-2025add-preTS-3e_acetonitrileSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ CC-PVDZ GEN-1845.07714991; Eh
thumbnail.jpeg21-Jun-2017Ag-0011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---130.92252505; eV
thumbnail.jpeg21-Jun-2017Ag-0021García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---135.32307615; eV
thumbnail.jpeg21-Jun-2017Ag-0101García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---128.61518009; eV
thumbnail.jpeg21-Jun-2017Ag-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---135.76761007; eV
thumbnail.jpeg21-Jun-2017Ag-0211García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---139.77485437; eV
thumbnail.jpeg21-Jun-2017Ag-1001García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---130.59111031; eV
thumbnail.jpeg21-Jun-2017Ag-1011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---140.47870921; eV
thumbnail.jpeg21-Jun-2017Ag-1021García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---148.36596265; eV
thumbnail.jpeg21-Jun-2017Ag-1101García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---135.44740881; eV
thumbnail.jpeg21-Jun-2017Ag-1111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---143.52103613; eV
thumbnail.jpeg21-Jun-2017Ag-1112García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---142.52978587; eV
thumbnail.jpeg21-Jun-2017Ag-1121García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---152.04304649; eV
thumbnail.jpeg21-Jun-2017Ag-1122García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---151.15369387; eV
thumbnail.jpeg21-Jun-2017Ag-1201García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---139.88244910; eV
thumbnail.jpeg21-Jun-2017Ag-1211García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---147.65521738; eV
thumbnail.jpeg21-Jun-2017Ag-1212García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---146.76161951; eV
Showing results 1 to 20 of 953  next >