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Gaussian Job Archive for C12H24CuLiO3
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C7H11O.C4H10O2.CH3.Cu.Li/c1-6-3-2-4-7(8)5-6;1-5-3-4-6-2;;;/h5-6H,2-4H2,1H3;3-4H2,1-2H3;1H3;;/q-1;;;;+1/t6-;;;;/m0..../s1InChIKey=PMFWRCYPMNHXNC-MAJYTBHHSA-NC1[C@@H]([C@@H]([C](CC1)O[Li])[Cu]C)C.O(CCOC)CC12H24CuLiO3irc(calcfc,recalc=10,maxpoints=150,maxcycle=40,tight,cartesian,stepsOrganic Chemistry
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