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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Feb-2021hh_frq_nch1ohChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--655.83043599; eV
thumbnail.jpeg22-Feb-2021hh_nch1Chuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--644.59308675; eV
thumbnail.jpeg22-Feb-2021hh_frq_nch1Chuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--644.61741316; eV
thumbnail.jpeg29-Jul-2021i212102+i131102-i343104+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--185.42303976; eV
thumbnail.jpeg29-Jul-2021i212102+i130101-i342106+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--178.55939368; eV
thumbnail.jpeg23-Feb-2021Fe-s_4CORuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1955.89882231; eV
thumbnail.jpeg23-Feb-2021Fe-iRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1907.54344723; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-8a02-bMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--281.62175503; eV
thumbnail.jpeg1-Jun-2022Ru_3xN6_1xCRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1319.75218947; eV
thumbnail.jpeg1-Jun-2022Ru_2xN6_2xCRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1320.11954471; eV
Results 12571-12580 of 37977 (Search time: 0.015 seconds).