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A., Ed.Interscience:New York, 1962; Vol. 2, pp15\u221239."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"51","DOI":"10.1007\/s10532-005-9035-5","volume":"18","author":"Chaojie Z.","year":"2007","journal-title":"Biodegradation"},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"295","DOI":"10.1016\/j.jhazmat.2006.07.002","volume":"141","author":"Chaojie Z.","year":"2007","journal-title":"J. Hazard. Mater."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"2600","DOI":"10.1021\/jf00047a043","volume":"42","author":"Parlow J. J.","year":"1994","journal-title":"J. Agric. Food Chem."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"4408","DOI":"10.1021\/jm980399q","volume":"41","author":"Tanaka A.","year":"1998","journal-title":"J. Med. Chem."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"1211","DOI":"10.1016\/S0960-894X(01)00187-1","volume":"11","author":"Robinson R. P.","year":"2001","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref24\/cit24","first-page":"293","volume":"8","author":"Mercier C.","year":"1996","journal-title":"Ind. Chem. Lib."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"707","DOI":"10.1063\/1.556020","volume":"27","author":"Borges dos Santos R. M.","year":"1998","journal-title":"J. Phys. Chem. Ref. Data"},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"4594","DOI":"10.1021\/ja00195a011","volume":"111","author":"Survan M. M.","year":"1989","journal-title":"J. Am. Chem. Soc."},{"key":"ref27\/cit27","volume-title":"NIST Negative Ion Energetics Data Base","author":"Lias S. G.","year":"1993"},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"7346","DOI":"10.1021\/ja00176a039","volume":"112","author":"Arnett E. M.","year":"1990","journal-title":"J. Am. Chem. Soc."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"479","DOI":"10.1021\/ja00158a002","volume":"112","author":"Lind J.","year":"1990","journal-title":"J. Am. Chem. Soc."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"7904","DOI":"10.1021\/jo960069i","volume":"61","author":"Wu Y.-D.","year":"1996","journal-title":"J. Org. Chem."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"2904","DOI":"10.1039\/b110480m","volume":"4","author":"Bogdanov B.","year":"2002","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"931","DOI":"10.1021\/j100875a505","volume":"70","author":"Crimmins F. T.","year":"1966","journal-title":"J. Phys. Chem."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1107\/S0108768104030617","volume":"61","author":"Oswald I. D. H.","year":"2005","journal-title":"Acta Crystallogr."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"1055","DOI":"10.1021\/cg049647b","volume":"5","author":"Oswald I. D. H.","year":"2005","journal-title":"Cryst. Growth Des."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"1951","DOI":"10.1016\/S1386-1425(01)00647-3","volume":"58","author":"Tishchenko O.","year":"2002","journal-title":"Spectrochim. Acta, Part A"},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"269","DOI":"10.1016\/0022-2852(81)90279-4","volume":"86","author":"Jaman A. I.","year":"1981","journal-title":"J. Mol. Spectrosc."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1016\/0022-2860(82)85228-9","volume":"82","author":"Jaman A. I.","year":"1982","journal-title":"J. Mol. Struct."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"21","DOI":"10.1016\/j.jms.2007.07.001","volume":"245","author":"Jaman A. I.","year":"2007","journal-title":"J. Mol. Spectrosc."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"4547","DOI":"10.1021\/jp022564q","volume":"107","author":"Zierkiewicz W.","year":"2003","journal-title":"J. Phys. Chem. A"},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1016\/0022-2860(86)80169-7","volume":"144","author":"Larsen N. W.","year":"1986","journal-title":"J. Mol. Struct."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"29","DOI":"10.1016\/0022-2860(74)80065-7","volume":"22","author":"Larsen N. W.","year":"1974","journal-title":"J. Mol. Struct."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"1941","DOI":"10.1021\/j100841a033","volume":"64","author":"Cabana A.","year":"1960","journal-title":"J. Phys. Chem."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"274","DOI":"10.1016\/0022-2852(85)90224-3","volume":"114","author":"Dutta A.","year":"1985","journal-title":"J. Mol. Spectrosc."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"70","DOI":"10.1021\/j100103a014","volume":"97","author":"Vajda E.","year":"1993","journal-title":"J. Phys. Chem."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"205","DOI":"10.1016\/j.chemphys.2007.04.018","volume":"335","author":"Kov\u00e1cs A.","year":"2007","journal-title":"Chem. Phys."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"331","DOI":"10.1016\/j.saa.2006.11.040","volume":"68","author":"John U.","year":"2007","journal-title":"Spectrochim. Acta, Part A"},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"1553","DOI":"10.1021\/j100655a011","volume":"76","author":"Carlson G. L.","year":"1972","journal-title":"J. Phys. Chem."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"35","DOI":"10.1016\/0166-1280(87)87004-5","volume":"152","author":"George P.","year":"1987","journal-title":"J. Mol. Struct. 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Thesis, Faculty of Science,University of Porto, 1993."},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"1343","DOI":"10.1016\/S0021-9614(03)00109-5","volume":"35","author":"Ribeiro da Silva M. A. V.","year":"2003","journal-title":"J. Chem. Thermodyn."},{"key":"ref56\/cit56","unstructured":"Santos, L. M. N. B. F.Ph. D. Thesis,University of Porto, 1995."},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"1080","DOI":"10.1021\/j150542a014","volume":"60","author":"Good W. D.","year":"1956","journal-title":"J. Phys. Chem."},{"key":"ref58\/cit58","volume-title":"Certificate of Analysis of Standard Reference Material 39j Benzoic Acid Calorimetric Standard","year":"1995"},{"key":"ref59\/cit59","unstructured":"Coops, J.; Jessup, R. S.; Van Nes, K.,Calibration of Calorimeters for Reactions in a Bomb at Constant Volume. In Experimental Thermochemistry;Rossini, F. D., Ed.Interscience:New York, 1956; Vol. 1, pp27\u221258."},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"2052","DOI":"10.1021\/jp0672407","volume":"111","author":"Ribeiro da Silva M. A. V.","year":"2007","journal-title":"J. Phys. Chem. B"},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"93","DOI":"10.1016\/S0040-6031(99)00009-X","volume":"331","author":"Sabbah R.","year":"1999","journal-title":"Thermochim. Acta"},{"key":"ref62\/cit62","unstructured":"Oliveira, J. F. R. C.Private Communication, 2008."},{"key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"1776","DOI":"10.1039\/tf9605601776","volume":"56","author":"Skinner H. A.","year":"1960","journal-title":"Trans. Faraday Soc."},{"key":"ref64\/cit64","volume-title":"Quantitative Inorganic Analysis","author":"Vogel A. I.","year":"1978"},{"key":"ref65\/cit65","volume":"11","author":"Wagman D. D.","year":"1982","journal-title":"J. Phys. Chem. Ref. Data"},{"key":"ref66\/cit66","first-page":"75","volume-title":"Experimental Thermochemistry","author":"Hubbard W. N.","year":"1956"},{"key":"ref67\/cit67","doi-asserted-by":"crossref","first-page":"653","DOI":"10.1039\/TF9646000653","volume":"60","author":"Cox J. D.","year":"1964","journal-title":"Trans. Faraday Soc."},{"key":"ref68\/cit68","doi-asserted-by":"crossref","first-page":"525","DOI":"10.6028\/jres.010.037","volume":"10","author":"Washburn E. W.","year":"1933","journal-title":"J. Res. Natl. Bur. Stand. (U.S.)"},{"key":"ref69\/cit69","volume-title":"Catalogue Handbook of Fine Chemicals and Laboratory Equipment.","year":"2007"},{"key":"ref70\/cit70","first-page":"305","volume":"267","author":"Michel P.","year":"1968","journal-title":"C.R. Acad. Sci., Paris, Ser. C (Chim.)"},{"key":"ref71\/cit71","doi-asserted-by":"crossref","first-page":"2051","DOI":"10.1351\/pac200678112051","volume":"78","author":"Wieser M. E.","year":"2006","journal-title":"Pure Appl. Chem."},{"key":"ref72\/cit72","doi-asserted-by":"crossref","first-page":"565","DOI":"10.1006\/jcht.1995.0058","volume":"27","author":"Ribeiro da Silva M. A. V.","year":"1995","journal-title":"J. Chem. Thermodyn."},{"key":"ref73\/cit73","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1016\/S0022-328X(00)89468-1","volume":"97","author":"Adedeji F. A.","year":"1975","journal-title":"J. Organomet. Chem."},{"key":"ref74\/cit74","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1016\/j.tca.2003.07.016","volume":"415","author":"Santos L. M. N. B. F.","year":"2004","journal-title":"Thermochim. Acta"},{"key":"ref75\/cit75","doi-asserted-by":"crossref","first-page":"537","DOI":"10.1063\/1.1475333","volume":"31","author":"Chickos J. S.","year":"2002","journal-title":"J. Phys. Chem. Ref. Data"},{"key":"ref76\/cit76","doi-asserted-by":"crossref","first-page":"519","DOI":"10.1063\/1.1529214","volume":"32","author":"Chickos J. S.","year":"2003","journal-title":"J. Phys. Chem. Ref. 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