Browsing by Subject 1-propanol

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required29-Jul-2021i200101+i100101-i300101+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--148.40156878; eV
Login required29-Jul-2021i200101+i101101-i301101+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--156.58240595; eV
Login required29-Jul-2021i200101+i110101-i310101+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--152.38576593; eV
Login required29-Jul-2021i200101+i111101-i311103+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--159.97036841; eV
Login required29-Jul-2021i200101+i111102-i311104+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--159.44829891; eV
Login required29-Jul-2021i200101+i120101-i320101+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--155.82944098; eV
Login required29-Jul-2021i200101+i121101-i321106+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--164.08543612; eV
Login required29-Jul-2021i200101+i121102-i321109+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--163.52813352; eV
Login required29-Jul-2021i200101+i130101-i330101+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--160.21194536; eV
Login required29-Jul-2021i200101+i131102-i33110e+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--166.69439383; eV
Login required29-Jul-2021i201101+i100101-i301101+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--156.40592134; eV
Login required29-Jul-2021i201101+i101101-i302201+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--163.54798479; eV
Login required29-Jul-2021i201101+i110101-i311101+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--160.86720500; eV
Login required29-Jul-2021i201101+i111101-i312103+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--167.10520091; eV
Login required29-Jul-2021i201101+i111101-i312201+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--166.77018739; eV
Login required29-Jul-2021i201101+i111102-i312105+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--166.70058768; eV
Login required29-Jul-2021i201101+i111102-i312203+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--166.95553568; eV
Login required29-Jul-2021i201101+i120101-i321101+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--163.93629839; eV
Login required29-Jul-2021i201101+i120101-i321201+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--164.30695128; eV
Login required29-Jul-2021i201101+i121101-i322105+i000000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--171.76295719; eV