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Gaussian Job Archive for C15H26O9Ti
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C8H12O6.C4H9O.C3H5O.O.Ti/c1-3-13-7(11)5(9)6(10)8(12)14-4-2;1-4(2,3)5;1-2-3-4;;/h5-6H,3-4H2,1-2H3;1-3H3;2H,1,3H2;;/q-2;2*-1;;+4/t5-,6-;;;;/m1..../s1wB97XD/6-311G(d,p)opt(calcfc,ts,noeigentest,cartesian)frrwb97xd/6-311G(d,p)GenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC15H26O9Ti[C@@H]1([C@@H](O[Ti](O1)([O])(OC(C)(C)C)OCC=C)C(=O)OCC)C(=O)OCCInChIKey=PIGLOXFCBDJTSJ-NDSUJOINSA-Nscrf(cpcm,soOrganic Chemistry
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