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M.","year":"1997"},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"7650","DOI":"10.1063\/1.478676","volume":"110","author":"Baboul A. G.","year":"1999","journal-title":"J. Chem. Phys."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"7764","DOI":"10.1063\/1.477422","volume":"109","author":"Curtiss L. A.","year":"1998","journal-title":"J. Chem. Phys."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"3098","DOI":"10.1103\/PhysRevA.38.3098","volume":"38","author":"Becke A. D.","year":"1988","journal-title":"Phys. Rev. A"},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","volume":"37","author":"Lee C.","year":"1988","journal-title":"Phys. Rev. B"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"5968","DOI":"10.1063\/1.453520","volume":"87","author":"Pople J. A.","year":"1987","journal-title":"J. Chem. Phys."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"503","DOI":"10.1016\/0009-2614(88)85250-3","volume":"153","author":"Head-Gordon M.","year":"1988","journal-title":"Chem. Phys. Lett."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"16502","DOI":"10.1021\/jp960976r","volume":"100","author":"Scott A. P.","year":"1996","journal-title":"J. Phys. Chem."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"1734","DOI":"10.1021\/jp045883l","volume":"109","author":"Anantharaman B.","year":"2005","journal-title":"J. Phys. Chem. A"},{"key":"ref26\/cit26","volume-title":"Gaussian 03","author":"Frisch M. J.","year":"2004"},{"key":"ref27\/cit27","volume-title":"Experimental Thermochemistry","volume":"1","author":"Hubbard W. N.","year":"1956"},{"key":"ref28\/cit28","volume-title":"Experimental Thermochemistry","volume":"2","author":"Good W. D.","year":"1962"},{"issue":"2","key":"ref29\/cit29","volume":"11","author":"Wagman D. D.","year":"1982","journal-title":"J. Phys. Ref. Data"},{"key":"ref30\/cit30","volume-title":"Experimental Thermochemistry","volume":"1","author":"Coops J.","year":"1956"},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"525","DOI":"10.6028\/jres.010.037","volume":"10","author":"Washburn E. N.","year":"1933","journal-title":"J. Res. Natl. Bur. Stand. (US)"},{"key":"ref32\/cit32","first-page":"77","volume":"26","author":"Toussaint J.","year":"1957","journal-title":"Bull. Soc. R. Sci. Li\u00e8ge"},{"key":"ref33\/cit33","volume-title":"CODATA Key Values for Thermodynamics","author":"Cox J. D.","year":"1989"},{"key":"ref34\/cit34","volume-title":"THERMO.PL, National Institute of Standards and Technology","author":"Irikura K. K.","year":"2002"},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"24","DOI":"10.1139\/v92-005","volume":"70","author":"Sabbah R.","year":"1992","journal-title":"Can. J. Chem."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1515\/zpch-1972-25006","volume":"250","author":"Geiseler von G.","year":"1972","journal-title":"Z. Phys. Chem. (Leipzig)"},{"key":"ref37\/cit37","volume-title":"The nature of the chemical bond","author":"Pauling L.","year":"1960","edition":"3"},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"633","DOI":"10.1007\/BF01325186","volume":"23","author":"Richardson M. F.","year":"1993","journal-title":"J. Crystallogr. Spectrosc. Res."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"466","DOI":"10.1107\/S0021889807067908","volume":"41","author":"Macrae C. F.","year":"2008","journal-title":"J. Appl. Crystallogr."},{"key":"ref40\/cit40","volume-title":"Physical Measurements (Molecular Structure and Energetics)","volume":"2","author":"Hargittai I.","year":"1987"},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"3887","DOI":"10.1246\/bcsj.60.3887","volume":"60","author":"Iijima K.","year":"1987","journal-title":"Bull. Chem. Soc. Jpn."},{"key":"ref42\/cit42","first-page":"344","volume":"128","author":"Watik L. E.","year":"1991","journal-title":"Bull. Soc. Chim. Fr."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1016\/S0040-6031(97)00231-1","volume":"310","author":"Verevkin S. P.","year":"1998","journal-title":"Thermochim. Acta"},{"key":"ref44\/cit44","volume-title":"Thermochemical data and structures of organic compounds","author":"Pedley J. B.","year":"1994"},{"key":"ref45\/cit45","volume-title":"Thermochemistry of organic and organometallic compounds","author":"Cox J. 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