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 4459 to 4478 of 62969 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au143Cus_SR-00_COIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1917.35662701; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au143Cus_SR-00_CO2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1923.27022727; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au143Cus_SR-00_COOHIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1927.78682756; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au143Cus_SR-00_HIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1905.13591134; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au143Cus_SR-00_HCO2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1928.28797539; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au143Cus_SR-00_OCOIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlySingle pointDFT--1923.21262139; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au143Cus_SR-SR_COIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1941.70425900; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au143Cus_SR-SR_CO2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1948.16137397; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au143Cus_SR-SR_COOHIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1952.14935146; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au143Cus_SR-SR_HIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlySingle pointDFT--1928.56679332; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au144_00-00_COIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1891.34535769; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au144_00-00_CO2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1897.36859270; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au144_00-00_COOHIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1901.98181416; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au144_00-00_HIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1879.35694264; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au144_00-00_HCO2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1902.60263434; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au144_00-00_OCOIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlySingle pointDFT--1897.54254073; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au144_SH-SH_COIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlySingle pointDFT--1907.17476568; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au144_SH-SH_CO2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1914.52964892; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au144_SH-SH_COOHIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1918.72565778; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au144_SH-SH_HIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1895.70003056; eV