Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2021/cation-accumulation Au(111)-3sqrt3x3sqrt3-Li-Ref-1-t-1601-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1395.71950141; eV
thumbnail.jpeg28-Sep-2021/CO2-activation CO2-activation-3-electron-angle-120-degreesDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--25.61220944; eV
thumbnail.jpeg7-Jun-2022RuCl2-H_4xN6Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1329.27596080; eV
thumbnail.jpeg7-Jun-2022RuCl2-H_3xN6Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1339.80211249; eV
thumbnail.jpeg28-Nov-2021EXPERIMENTAL_DATA_containerFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--0.62393821; eV
thumbnail.jpeg1-Mar-2022Pd-3O-2Ce3-31_32Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--855.22925131; eV
thumbnail.jpeg7-Jun-2022RuCl2-H_1xN6+3xCRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1330.60985028; eV
thumbnail.jpeg22-Feb-2021hh_nch2ohChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--660.20784792; eV
thumbnail.jpeg22-Feb-2021hh_nch1ohChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--655.82702826; eV
thumbnail.jpeg22-Feb-2021hh_frq_nch2ohChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--660.23004596; eV
Results 12561-12570 of 37977 (Search time: 0.017 seconds).