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How reliable are ab initio calculations? Experimental and theoretical investigation of the structure and conformation of chlorocarbonyl isocyanate, ClC(O)NCO

Chemical EngineeringEngineeringTheoretical InvestigationNatural SciencesAb Initio CalculationsStructure ElucidationOrganic ChemistryComputational ChemistryQuantum ChemistryChemistryHalogenationChlorocarbonyl IsocyanateAb-initio Method