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Betts, Antoine Buchard, Sofia I. Pascu, Paul D. Bonnitcha, and Jonathan R. Dilwortha DFT study: Computed free enthalpies of formation of complexes 7-Benzyl-1,5,7,9,13-penta-aza-(1,13-ethano)-cyclopentadecane copper(II) dichloride and copper(II) cyclam dichloride Protocol: uM06/6-31++G(d,p)/SCRF=(cpcm,solvent=methanol)/temperature= (337.85) Content: Gaussian09 rev A.02 output files","descriptionType":"Abstract"}],"geoLocations":[],"fundingReferences":[],"xml":"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","url":"https://figshare.com/articles/dataset/One_Pot_Synthesis_Characterisation_and_Kinetic_Stability_of_Novel_Side_Bridged_Pentaazamacrocylic_Copper_II_Complexes_/907517","contentUrl":null,"metadataVersion":2,"schemaVersion":"http://datacite.org/schema/kernel-4","source":"mds","isActive":true,"state":"findable","reason":null,"viewCount":0,"viewsOverTime":[],"downloadCount":0,"downloadsOverTime":[],"referenceCount":0,"citationCount":0,"citationsOverTime":[],"partCount":0,"partOfCount":0,"versionCount":0,"versionOfCount":0,"created":"2014-01-22T21:34:33.000Z","registered":"2014-01-22T21:34:35.000Z","published":"2014","updated":"2020-09-05T00:36:09.000Z"},"relationships":{"client":{"data":{"id":"figshare.ars","type":"clients"}},"provider":{"data":{"id":"otjm","type":"providers"}},"media":{"data":{"id":"10.6084/m9.figshare.907517","type":"media"}},"references":{"data":[]},"citations":{"data":[]},"parts":{"data":[]},"partOf":{"data":[]},"versions":{"data":[]},"versionOf":{"data":[]}}}}