{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,8]],"date-time":"2026-04-08T05:02:24Z","timestamp":1775624544460,"version":"3.50.1"},"reference-count":93,"publisher":"American Chemical Society (ACS)","issue":"13","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2008,4,1]]},"DOI":"10.1021\/jp7107818","type":"journal-article","created":{"date-parts":[[2008,3,11]],"date-time":"2008-03-11T09:00:37Z","timestamp":1205226037000},"page":"2977-2987","source":"Crossref","is-referenced-by-count":43,"title":["Experimental and Molecular Dynamics Simulation Study of the Sublimation and Vaporization Energetics of Iron Metalocenes. Crystal Structures of Fe(\u03b7<sup>5<\/sup>-C<sub>5<\/sub>H<sub>4<\/sub>CH<sub>3<\/sub>)<sub>2<\/sub>and Fe[(\u03b7<sup>5<\/sup>-(C<sub>5<\/sub>H<sub>5<\/sub>)(\u03b7<sup>5<\/sup>-C<sub>5<\/sub>H<sub>4<\/sub>CHO)]"],"prefix":"10.1021","volume":"112","author":[{"given":"Cl\u00e1udio M.","family":"Lousada","sequence":"first","affiliation":[{"name":"Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias, Universidade de Lisboa, 1649-016 Lisboa, Portugal, and Centro de Qu\u00edmica Estrutural, Complexo Interdisciplinar, Instituto Superior T\u00e9cnico da Universidade T\u00e9cnica de Lisboa, 1049-001 Lisboa, Portugal"}]},{"given":"Susana S.","family":"Pinto","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias, Universidade de Lisboa, 1649-016 Lisboa, Portugal, and Centro de Qu\u00edmica Estrutural, Complexo Interdisciplinar, Instituto Superior T\u00e9cnico da Universidade T\u00e9cnica de Lisboa, 1049-001 Lisboa, Portugal"}]},{"given":"Jos\u00e9 N.","family":"Canongia Lopes","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias, Universidade de Lisboa, 1649-016 Lisboa, Portugal, and Centro de Qu\u00edmica Estrutural, Complexo Interdisciplinar, Instituto Superior T\u00e9cnico da Universidade T\u00e9cnica de Lisboa, 1049-001 Lisboa, Portugal"}]},{"given":"M. F\u00e1tima","family":"Minas da Piedade","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias, Universidade de Lisboa, 1649-016 Lisboa, Portugal, and Centro de Qu\u00edmica Estrutural, Complexo Interdisciplinar, Instituto Superior T\u00e9cnico da Universidade T\u00e9cnica de Lisboa, 1049-001 Lisboa, Portugal"}]},{"given":"Herm\u00ednio P.","family":"Diogo","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias, Universidade de Lisboa, 1649-016 Lisboa, Portugal, and Centro de Qu\u00edmica Estrutural, Complexo Interdisciplinar, Instituto Superior T\u00e9cnico da Universidade T\u00e9cnica de Lisboa, 1049-001 Lisboa, Portugal"}]},{"given":"Manuel E.","family":"Minas da Piedade","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias, Universidade de Lisboa, 1649-016 Lisboa, Portugal, and Centro de Qu\u00edmica Estrutural, Complexo Interdisciplinar, Instituto Superior T\u00e9cnico da Universidade T\u00e9cnica de Lisboa, 1049-001 Lisboa, Portugal"}]}],"member":"316","published-online":{"date-parts":[[2008,3,11]]},"reference":[{"key":"jp7107818b00001\/jp7107818b00001_1","volume-title":"American Chemical Society:\u2009 Washington","author":"Bonding Energetics","year":"1990"},{"key":"jp7107818b00002\/jp7107818b00002_1","volume-title":"Kluwer:\u2009 Dordrecht","author":"Energetics","year":"1992"},{"key":"jp7107818b00003\/jp7107818b00003_1","doi-asserted-by":"crossref","first-page":"605","DOI":"10.1016\/B0-08-045047-4\/00024-8","volume-title":"Comprehensive Organometallic Chemistry III","volume":"1","author":"Martinho Sim\u00f5es J. A.","year":"2007"},{"key":"jp7107818b00004\/jp7107818b00004_1","volume-title":"John Wiley:\u2009 New York","author":"The Chemistry","year":"1994"},{"key":"jp7107818b00005\/jp7107818b00005_1","volume-title":"Handbook of Chemical Vapour Deposition (CVD)","year":"1999","edition":"2"},{"key":"jp7107818b00006\/jp7107818b00006_1","doi-asserted-by":"crossref","first-page":"381","DOI":"10.1021\/je60018a027","volume":"8","author":"Bondi A.","year":"1963","journal-title":"J. Chem. Eng. Data"},{"key":"jp7107818b00007\/jp7107818b00007_1","doi-asserted-by":"crossref","first-page":"2267","DOI":"10.1246\/bcsj.40.2267","volume":"40","author":"Wakayama N.","year":"1967","journal-title":"Bull. Chem. Soc. Jpn."},{"key":"jp7107818b00008\/jp7107818b00008_1","doi-asserted-by":"crossref","first-page":"591","DOI":"10.1021\/ed048p591","volume":"48","author":"Davies M.","year":"1971","journal-title":"J. Chem. Educ."},{"key":"jp7107818b00009\/jp7107818b00009_1","first-page":"467","volume":"4","author":"Morawetz E.","year":"1972","journal-title":"J. Chem. Thermodyn."},{"key":"jp7107818b00010\/jp7107818b00010_1","doi-asserted-by":"crossref","first-page":"1735","DOI":"10.1002\/anie.199517351","volume":"34","author":"Nass K.","year":"1995","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"jp7107818b00011\/jp7107818b00011_1","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1007\/978-94-011-2466-9_10","volume-title":"Energetics of Organometallic Species","author":"Chickos J. S.","year":"1992"},{"key":"jp7107818b00012\/jp7107818b00012_1","doi-asserted-by":"crossref","first-page":"63","DOI":"10.1021\/bk-1998-0677.ch004","volume-title":"Computational Thermochemistry","author":"Chickos J. S.","year":"1998"},{"key":"jp7107818b00013\/jp7107818b00013_1","doi-asserted-by":"crossref","first-page":"2023","DOI":"10.1039\/P29950002023","author":"Chearlton M. H.","year":"1995","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"key":"jp7107818b00014\/jp7107818b00014_1","doi-asserted-by":"crossref","first-page":"5013","DOI":"10.1021\/ja00123a001","volume":"117","author":"Westwell M. S.","year":"1995","journal-title":"J. Am. Chem. Soc."},{"key":"jp7107818b00015\/jp7107818b00015_1","doi-asserted-by":"crossref","first-page":"309","DOI":"10.1021\/ar00046a004","volume":"27","author":"Gavezzotti A.","year":"1994","journal-title":"Acc. Chem. Res."},{"key":"jp7107818b00016\/jp7107818b00016_1","doi-asserted-by":"crossref","DOI":"10.1615\/1-56700-124-6.0","volume-title":"Thermochemical and Thermodynamic Properties of Organometallic Compounds","author":"Rabinovich I. B.","year":"1999"},{"key":"jp7107818b00017\/jp7107818b00017_1","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":"jp7107818b00018\/jp7107818b00018_1","volume-title":"NIST Chemistry WebBook","author":"Martinho Sim\u00f5es J. A.","year":"2005"},{"key":"jp7107818b00019\/jp7107818b00019_1","doi-asserted-by":"crossref","first-page":"257","DOI":"10.1002\/1099-0682(20011)2001:1<257::AID-EJIC257>3.0.CO;2-2","volume":"228","author":"Diogo H. P.","year":"2001","journal-title":"Eur. J. Inorg. Chem."},{"key":"jp7107818b00020\/jp7107818b00020_1","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-642-82712-9","volume-title":"The Atom-Atom Potential Method. Applications to Organic Molecular Solids","author":"Pertsin A. J.","year":"1987"},{"key":"jp7107818b00021\/jp7107818b00021_1","volume-title":"John Wiley:\u2009 Chichester","author":"Theoretical Aspects","year":"1997"},{"key":"jp7107818b00022\/jp7107818b00022_1","doi-asserted-by":"crossref","first-page":"697","DOI":"10.1107\/S0108768100004584","volume":"56","author":"Lommerse J. P. M.","year":"2000","journal-title":"Acta Crystallogr."},{"key":"jp7107818b00023\/jp7107818b00023_1","doi-asserted-by":"crossref","first-page":"647","DOI":"10.1107\/S0108768102005669","volume":"58","author":"Motherwell W. D. S.","year":"2002","journal-title":"Acta Crystallogr."},{"key":"jp7107818b00024\/jp7107818b00024_1","doi-asserted-by":"crossref","first-page":"511","DOI":"10.1107\/S0108768105016563","volume":"61","author":"Day G. M.","year":"2005","journal-title":"Acta Crystallogr."},{"key":"jp7107818b00025\/jp7107818b00025_1","volume-title":"Kluwer:\u2009 Dordrecht","author":"Crystal Engineering","year":"1999"},{"key":"jp7107818b00026\/jp7107818b00026_1","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1016\/S0040-6031(96)03048-1","volume":"290","author":"Welsh W. J.","year":"1996","journal-title":"Thermochim. Acta"},{"key":"jp7107818b00027\/jp7107818b00027_1","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1021\/ci010081y","volume":"42","author":"Puri S.","year":"2002","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"jp7107818b00028\/jp7107818b00028_1","doi-asserted-by":"crossref","first-page":"499","DOI":"10.1524\/zkri.220.5.499.65063","volume":"220","author":"Gavezzotti A.","year":"2005","journal-title":"Z. Kristallogr."},{"key":"jp7107818b00029\/jp7107818b00029_1","doi-asserted-by":"crossref","first-page":"201","DOI":"10.1055\/s-2002-19742","volume":"56","author":"Gavezzotti A.","year":"2002","journal-title":"Synlett"},{"key":"jp7107818b00030\/jp7107818b00030_1","doi-asserted-by":"crossref","first-page":"380","DOI":"10.1107\/S0108768102003890","volume":"58","author":"Allen F. H.","year":"2002","journal-title":"Acta Crystallogr."},{"key":"jp7107818b00031\/jp7107818b00031_1","doi-asserted-by":"crossref","first-page":"13850","DOI":"10.1021\/jp062896l","volume":"110","author":"Canongia Lopes J. N.","year":"2006","journal-title":"J. Phys. Chem. A"},{"key":"jp7107818b00033\/jp7107818b00033_1","doi-asserted-by":"crossref","first-page":"1503","DOI":"10.1002\/jps.20061","volume":"93","author":"Moura Ramos J. J.","year":"2004","journal-title":"J. Pharm. Sci."},{"key":"jp7107818b00034\/jp7107818b00034_1","volume-title":"Infrared and Raman Spectra of Inorganic and Coordination Compounds, Part B","author":"Nakamoto K.","year":"1997","edition":"5"},{"key":"jp7107818b00035\/jp7107818b00035_1","volume-title":"SDBS","author":"Saito T.","year":"2006"},{"key":"jp7107818b00036\/jp7107818b00036_1","doi-asserted-by":"crossref","first-page":"1074","DOI":"10.1107\/S0567740879005604","volume":"35","author":"Takusagawa T.","year":"1979","journal-title":"Acta Crystallogr."},{"key":"jp7107818b00037\/jp7107818b00037_1","first-page":"151","volume":"43","author":"Joens O.","year":"1969","journal-title":"Dan. Tidsskr. Farm."},{"key":"jp7107818b00038\/jp7107818b00038_1","doi-asserted-by":"crossref","first-page":"86","DOI":"10.1016\/0040-6031(71)85027-X","volume":"2","author":"Beech G.","year":"1971","journal-title":"Thermochim. Acta"},{"key":"jp7107818b00039\/jp7107818b00039_1","doi-asserted-by":"crossref","first-page":"97","DOI":"10.1016\/0040-6031(80)80114-6","volume":"36","author":"Murray J. P.","year":"1980","journal-title":"Thermochim. Acta"},{"key":"jp7107818b00040\/jp7107818b00040_1","doi-asserted-by":"crossref","first-page":"1383","DOI":"10.1039\/dt9880001383","author":"Phillips L.","year":"1988","journal-title":"J. Chem. Soc., Dalton Trans."},{"key":"jp7107818b00041\/jp7107818b00041_1","doi-asserted-by":"crossref","first-page":"5784","DOI":"10.1021\/om000707u","volume":"19","author":"Kim D.-H.","year":"2000","journal-title":"Organometallics"},{"key":"jp7107818b00042\/jp7107818b00042_1","doi-asserted-by":"crossref","first-page":"36","DOI":"10.1016\/S0022-328X(99)00326-5","volume":"593","author":"Stanghellini P. L.","year":"2000","journal-title":"J. Organomet. Chem."},{"key":"jp7107818b00043\/jp7107818b00043_1","doi-asserted-by":"crossref","first-page":"892","DOI":"10.1021\/ja00498a017","volume":"101","author":"Freyberg D. P.","year":"1979","journal-title":"J. Am. Chem. Soc."},{"key":"jp7107818b00044\/jp7107818b00044_1","doi-asserted-by":"crossref","first-page":"634","DOI":"10.1246\/bcsj.57.634","volume":"57","author":"Sato K.","year":"1984","journal-title":"Bull. Chem. Soc. Jpn."},{"key":"jp7107818b00045\/jp7107818b00045_1","doi-asserted-by":"crossref","first-page":"456","DOI":"10.1039\/F29787400456","volume":"74","author":"Daniel D. M.","year":"1978","journal-title":"J. Chem. Soc., Faraday Trans. 2"},{"key":"jp7107818b00046\/jp7107818b00046_1","doi-asserted-by":"crossref","first-page":"528","DOI":"10.1080\/01411590701339401","volume":"80","author":"Kaneko Y.","year":"2007","journal-title":"Phase Transitions"},{"key":"jp7107818b00047\/jp7107818b00047_1","volume-title":"Synthesis and Study of New Cyclometallated Derivatives of Ferrocene","author":"Rosol M.","year":"2007"},{"key":"jp7107818b00048\/jp7107818b00048_1","doi-asserted-by":"crossref","first-page":"110","DOI":"10.1107\/S0108768195007531","volume":"52","author":"Glidewell C.","year":"1996","journal-title":"Acta Crystallogr."},{"key":"jp7107818b00049\/jp7107818b00049_1","first-page":"1230","volume":"77","author":"Karyakin N. V.","year":"2003","journal-title":"Russ. J. Phys. Chem."},{"key":"jp7107818b00050\/jp7107818b00050_1","doi-asserted-by":"crossref","first-page":"838","DOI":"10.1107\/S0021889899006020","volume":"32","author":"Farrugia L. J.","year":"1999","journal-title":"J. Appl. Crystallogr."},{"key":"jp7107818b00051\/jp7107818b00051_1","volume-title":"XCAD4-CAD4 Data Reduction","author":"Harms K.","year":"1995"},{"key":"jp7107818b00052\/jp7107818b00052_1","unstructured":"SADABS; Area-Detector Absorption Correction; Bruker AXS Inc.\u2009 Madison, 2004."},{"key":"jp7107818b00053\/jp7107818b00053_1","volume-title":"version 7.23","author":"Area-Detector Integration","year":"2004"},{"key":"jp7107818b00054\/jp7107818b00054_1","doi-asserted-by":"crossref","first-page":"115","DOI":"10.1107\/S0021889898007717","volume":"32","author":"Altomare A.","year":"1999","journal-title":"J. Appl. Crystallogr."},{"key":"jp7107818b00055\/jp7107818b00055_1","unstructured":"Sheldrick, G. M.SHELXL-97:\u2009 Program for the Refinement of CrystalStructure; University of G\u00f6ttingen:\u2009 Germany, 1997."},{"key":"jp7107818b00056\/jp7107818b00056_1","doi-asserted-by":"crossref","first-page":"565","DOI":"10.1107\/S0021889897003117","volume":"30","author":"Farrugia L. J.","year":"1997","journal-title":"J. Appl. Crystallogr."},{"key":"jp7107818b00057\/jp7107818b00057_1","doi-asserted-by":"crossref","first-page":"453","DOI":"10.1107\/S002188980600731X","volume":"39","author":"Macrae C. F.","year":"2006","journal-title":"J. Appl. Crystallogr."},{"key":"jp7107818b00058\/jp7107818b00058_1","doi-asserted-by":"crossref","first-page":"659","DOI":"10.1107\/S0021889895007138","volume":"28","author":"Nardelli M.","year":"1995","journal-title":"J. Appl. Crystallogr."},{"key":"jp7107818b00059\/jp7107818b00059_1","first-page":"53","volume":"22","author":"Calado J. C. G.","year":"1980","journal-title":"Rev. Port. Quim."},{"key":"jp7107818b00060\/jp7107818b00060_1","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1016\/0040-6031(93)80269-G","volume":"228","author":"Diogo H. P.","year":"1993","journal-title":"J. Thermochim. Acta"},{"key":"jp7107818b00061\/jp7107818b00061_1","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1006\/jcht.2000.0716","volume":"33","author":"Kiyobayashi T.","year":"2001","journal-title":"J. Chem. Thermodyn."},{"key":"jp7107818b00062\/jp7107818b00062_1","doi-asserted-by":"crossref","first-page":"1405","DOI":"10.1088\/0957-0233\/17\/6\/018","volume":"17","author":"Bernardes C. E. S.","year":"2006","journal-title":"Meas. Sci. Technol."},{"key":"jp7107818b00063\/jp7107818b00063_1","volume-title":"Gaussian 03, revision C.02","author":"Frisch M. J.","year":"2004"},{"key":"jp7107818b00064\/jp7107818b00064_1","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","volume":"98","author":"Becke A. D.","year":"1993","journal-title":"J. Chem. Phys."},{"key":"jp7107818b00065\/jp7107818b00065_1","doi-asserted-by":"crossref","first-page":"13244","DOI":"10.1103\/PhysRevB.45.13244","volume":"45","author":"Perdew J. P.","year":"1992","journal-title":"Phys. Rev. B"},{"key":"jp7107818b00066\/jp7107818b00066_1","doi-asserted-by":"crossref","first-page":"1052","DOI":"10.1063\/1.471950","volume":"105","author":"Leininger T.","year":"1996","journal-title":"J. Chem. Phys."},{"key":"jp7107818b00067\/jp7107818b00067_1","volume-title":"Modern Theoretical Chemistry","volume":"1","author":"Dunning T. H.","year":"1976"},{"key":"jp7107818b00068\/jp7107818b00068_1","doi-asserted-by":"crossref","first-page":"361","DOI":"10.1002\/jcc.540110311","volume":"11","author":"Breneman C. M.","year":"1990","journal-title":"J. Comput. Chem."},{"key":"jp7107818b00069\/jp7107818b00069_1","volume-title":"The DL_POLY Package of Molecular Simulation Routines, v. 2.12","author":"Smith W.","year":"1999"},{"key":"jp7107818b00070\/jp7107818b00070_1","doi-asserted-by":"crossref","first-page":"11225","DOI":"10.1021\/ja9621760","volume":"118","author":"Jorgensen W. L.","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"jp7107818b00071\/jp7107818b00071_1","doi-asserted-by":"crossref","first-page":"18010","DOI":"10.1021\/jp9624257","volume":"100","author":"Kaminski G.","year":"1996","journal-title":"J. Phys. Chem."},{"key":"jp7107818b00072\/jp7107818b00072_1","doi-asserted-by":"crossref","first-page":"5179","DOI":"10.1021\/ja00124a002","volume":"117","author":"Cornell W. D.","year":"1995","journal-title":"J. Am. Chem. Soc."},{"key":"jp7107818b00073\/jp7107818b00073_1","unstructured":"Parameters obtained from file parm99.dat corresponding to AMBER versions 1999 and 2002."},{"key":"jp7107818b00074\/jp7107818b00074_1","doi-asserted-by":"crossref","first-page":"93","DOI":"10.1016\/S0040-6031(99)00009-X","volume":"331","author":"Reference Materials","year":"1999","journal-title":"Thermochim. Acta"},{"key":"jp7107818b00075\/jp7107818b00075_1","first-page":"67","volume-title":"Theoretical Aspects and Computer Modelling of the Molecular Solid State","author":"Gavezzotti A.","year":"1997"},{"key":"jp7107818b00076\/jp7107818b00076_1","doi-asserted-by":"crossref","first-page":"1068","DOI":"10.1107\/S0567740879005598","volume":"35","author":"Seiler P.","year":"1979","journal-title":"Acta Crystallogr."},{"key":"jp7107818b00077\/jp7107818b00077_1","doi-asserted-by":"crossref","first-page":"1741","DOI":"10.1107\/S0567740882007080","volume":"38","author":"Seiler P.","year":"1982","journal-title":"Acta Crystallogr."},{"key":"jp7107818b00078\/jp7107818b00078_1","doi-asserted-by":"crossref","first-page":"928","DOI":"10.1107\/S0108768197005132","volume":"52","author":"Brock C. P.","year":"1997","journal-title":"Acta Crystallogr."},{"key":"jp7107818b00079\/jp7107818b00079_1","first-page":"1795","volume":"51","author":"Foucher D. A.","year":"1995","journal-title":"Acta Crystallogr."},{"key":"jp7107818b00080\/jp7107818b00080_1","doi-asserted-by":"crossref","first-page":"284","DOI":"10.1021\/ja067427b","volume":"129","author":"Santos L. M. N. B. F.","year":"2007","journal-title":"J. Am. Chem. Soc."},{"key":"jp7107818b00081\/jp7107818b00081_1","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":"jp7107818b00082\/jp7107818b00082_1","doi-asserted-by":"crossref","first-page":"2020","DOI":"10.1107\/S0567740879008384","volume":"35","author":"Seiler P.","year":"1979","journal-title":"Acta Crystallogr."},{"key":"jp7107818b00083\/jp7107818b00083_1","doi-asserted-by":"crossref","first-page":"1837","DOI":"10.1039\/f29817701837","volume":"77","author":"Daniel D. M.","year":"1981","journal-title":"J. Chem. Soc., Faraday Trans. 2"},{"key":"jp7107818b00084\/jp7107818b00084_1","doi-asserted-by":"crossref","first-page":"1323","DOI":"10.1039\/TF9625801323","volume":"58","author":"Edwards J. W.","year":"1962","journal-title":"Trans. Faraday Soc."},{"key":"jp7107818b00085\/jp7107818b00085_1","doi-asserted-by":"crossref","first-page":"293","DOI":"10.1016\/S0022-328X(00)88618-0","volume":"17","author":"Andrews J. T. S.","year":"1969","journal-title":"J. Organomet. Chem."},{"key":"jp7107818b00086\/jp7107818b00086_1","unstructured":"Atkins, P. W.; de Paula, J.Physical Chemistry, 7th ed.; Oxford University Press:\u2009 Oxford, 2002; p 822."},{"key":"jp7107818b00088\/jp7107818b00088_1","doi-asserted-by":"crossref","first-page":"441","DOI":"10.1021\/j100785a001","volume":"68","author":"Bondi A.","year":"1964","journal-title":"J. Phys. Chem."},{"key":"jp7107818b00089\/jp7107818b00089_1","volume-title":"Thermochemistry of Organic and Organometallic Compounds","author":"Cox J. D.","year":"1970"},{"key":"jp7107818b00090\/jp7107818b00090_1","doi-asserted-by":"crossref","first-page":"1334","DOI":"10.1039\/TF9625801334","volume":"58","author":"Edwards J. W.","year":"1962","journal-title":"Trans. Faraday Soc."},{"key":"jp7107818b00091\/jp7107818b00091_1","doi-asserted-by":"crossref","first-page":"333","DOI":"10.1016\/0040-6031(81)80254-7","volume":"48","author":"Tomasseti M.","year":"1981","journal-title":"Thermochim. Acta"},{"key":"jp7107818b00092\/jp7107818b00092_1","doi-asserted-by":"crossref","first-page":"189","DOI":"10.1080\/00268948108072321","volume":"71","author":"Ogasahara K.","year":"1981","journal-title":"Mol. Cryst. Liq. Cryst."},{"key":"jp7107818b00093\/jp7107818b00093_1","first-page":"2067","volume":"20","author":"Turnbull A. G.","year":"1967","journal-title":"Aust. J. Chem."},{"key":"jp7107818b00094\/jp7107818b00094_1","volume-title":"Thermodynamics of Organic Compounds in the Gas Phase","volume":"1994","author":"Frenkel M."},{"key":"jp7107818b00095\/jp7107818b00095_1","volume-title":"Prediction and Estimation of Molecular Thermodynamics","author":"Computational Thermochemistry","year":"1998"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jp7107818","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,2,23]],"date-time":"2024-02-23T14:55:42Z","timestamp":1708700142000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/jp7107818"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2008,3,11]]},"references-count":93,"journal-issue":{"issue":"13","published-print":{"date-parts":[[2008,4,1]]}},"alternative-id":["10.1021\/jp7107818"],"URL":"https:\/\/doi.org\/10.1021\/jp7107818","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2008,3,11]]}}}