Browsing by Author Pablo-García, Sergio

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required6-Aug-2020/freq/gasses CH2Cl2Pablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--20.85170886; eV
Login required6-Aug-2020/freq/gasses CH2F2Pablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--24.40634482; eV
Login required6-Aug-2020/freq/gasses CH2I2Pablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--18.53863968; eV
Login required6-Aug-2020/freq/gasses CH3ClPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--22.43646551; eV
Login required6-Aug-2020/freq/gasses CH3FPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--23.97163700; eV
Login required6-Aug-2020/freq/gasses CH3IPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--21.32902711; eV
Login required6-Aug-2020/freq/gasses CHClPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--11.04593904; eV
Login required6-Aug-2020/freq/gasses CHFPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--12.35239182; eV
Login required6-Aug-2020/freq/gasses CHIPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--9.87567364; eV
Login required6-Aug-2020/freq/gasses Cl2Pablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--3.57508520; eV
Login required6-Aug-2020/freq/gasses F2Pablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--3.55083518; eV
Login required6-Aug-2020/freq/gasses HClPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--6.09696295; eV
Login required6-Aug-2020/freq/gasses HFPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--7.88078782; eV
Login required6-Aug-2020/freq/gasses HIPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--4.76515725; eV
Login required6-Aug-2020/freq/gasses I2Pablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--0.04732838; eV
Login required6-Aug-2020/freq/interactions/Ag Br_1Pablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--114.02375204; eV
Login required6-Aug-2020/freq/interactions/Ag Cl_1Pablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--114.30268526; eV
Login required6-Aug-2020/freq/interactions/Co Br_1Pablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--261.63328386; eV
Login required6-Aug-2020/freq/interactions/Co Cl_1Pablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--261.95647589; eV
Login required6-Aug-2020/freq/interactions/Cu Br_1Pablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--149.91133587; eV