{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2023,4,18]],"date-time":"2023-04-18T10:56:42Z","timestamp":1681815402733},"reference-count":36,"publisher":"American Chemical Society (ACS)","issue":"7","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2008,7,1]]},"DOI":"10.1021\/ci700457p","type":"journal-article","created":{"date-parts":[[2008,6,11]],"date-time":"2008-06-11T08:00:41Z","timestamp":1213171241000},"page":"1511-1523","source":"Crossref","is-referenced-by-count":1,"title":["A Web Service Infrastructure for Thermochemical Data"],"prefix":"10.1021","volume":"48","author":[{"given":"Christopher P.","family":"Paolini","sequence":"first","affiliation":[{"name":"Computational Science Research Center and the Department of Mechanical Engineering, San Diego State University, 5500 Campanile Drive, San Diego, California 92182"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Subrata","family":"Bhattacharjee","sequence":"additional","affiliation":[{"name":"Computational Science Research Center and the Department of Mechanical Engineering, San Diego State University, 5500 Campanile Drive, San Diego, California 92182"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2008,6,11]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"1303","DOI":"10.1021\/ci6004349","volume":"47","author":"Dong X.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"1045","DOI":"10.1021\/ci600510j","volume":"47","author":"Schuchardt K. L.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"991","DOI":"10.1021\/ci050400b","volume":"46","author":"Guha R.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"493","DOI":"10.1021\/ci025584y","volume":"43","author":"Steinbeck C.","year":"2003","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref5\/cit5","volume-title":"International Critical Tables","author":"Washburn E.","year":"1926"},{"key":"ref6\/cit6","first-page":"1","volume":"9","author":"Chase M. W.","year":"1998","journal-title":"J. Phys. Chem. Ref. Data"},{"key":"ref7\/cit7","volume-title":"Thermodynamic Properties of Chemical Substances to 6000 K","author":"Gordon S.","year":"1963"},{"key":"ref8\/cit8","volume-title":"Thermodynamic Properties of Individual Substances (TPIS)","volume":"1","author":"Gurvich L. V.","year":"1978","edition":"3"},{"key":"ref9\/cit9","doi-asserted-by":"crossref","DOI":"10.1002\/9783527619825","volume-title":"Thermodynamic Data of Pure Substances","author":"Barin I.","year":"1995","edition":"3"},{"key":"ref10\/cit10","unstructured":"NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, June 2005 Release.http:\/\/webbook.nist.gov\/chemistry\/(accessed Mar 9, 2008) ."},{"key":"ref11\/cit11","unstructured":"Third Millennium Thermodynamic Database for Combustion and Air-Pollution Use with updates from Active Thermochemical Tables.ftp:\/\/ftp.technion.ac.il\/pub\/supported\/aetdd\/thermodynamics\/(accessed Mar 12, 2007);http:\/\/garfield.chem.elte.hu\/Burcat\/burcat.html(accessed Mar 12, 2007) ."},{"key":"ref12\/cit12","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A.Gaussian 03,Revision C.02;Gaussian, Inc.:Wallingford CT, 2004."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"1347","DOI":"10.1002\/jcc.540141112","volume":"14","author":"Schmidt M. W.","year":"1993","journal-title":"J. Comput. Chem."},{"key":"ref14\/cit14","volume-title":"Ideal Gas Thermodynamic Functions","volume":"3","author":"Wilhoit R. C.","year":"1975"},{"key":"ref15\/cit15","volume-title":"Progress in SI and Diesel Engine Modeling","author":"Lanzfame R.","year":"2001"},{"key":"ref16\/cit16","volume-title":"FORTRAN IV Program for Calculation of Thermodynamic Data; NASA TN-D 4097","author":"McBride B. J.","year":"1967"},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"928","DOI":"10.1021\/ja01234a025","volume":"66","author":"Shomate C. H.","year":"1944","journal-title":"J. Am. Chem. Soc."},{"key":"ref18\/cit18","unstructured":"Kee, R. J.; Rupley, F. M.; Miller, J. A.; Coltrin, M. E.; Grcar, J. F.; Meeks, E.; Moffat, H. K.; Lutz, A. E.; Dixon-Lewis, G.; Smooke, M. D.; Warnatz, J.; Evans, G. H.; Larson, R. S.; Mitchell, R. E.; Petzold, L. R.; Reynolds, W. C.; Caracotsios, M.; Stewart, W. E.; Glarborg, P.; Wang, C.; McLellan, C. L.; Adigun, O.; Houf, W. G.; Chou, C. P.; Miller, S. F.; Ho, P.; Young, P. D.; Young, D. J.; Hodgson, D. W.; Petrova, M. V.; Puduppakkam, K. V.CHEMKIN,release 4.1.1;Reaction Design:San Diego, CA, 2007."},{"key":"ref19\/cit19","volume-title":"The MySQL Relational Database","year":"2008","edition":"5"},{"key":"ref20\/cit20","unstructured":"Stored Procedures in MySQL 5.0.http:\/\/dev.mysql.com\/tech-resources\/articles\/mysql-storedproc.html(accessed May 24, 2007) ."},{"key":"ref21\/cit21","first-page":"12","volume":"28","author":"McNaught A.","year":"2006","journal-title":"Chem. Int."},{"key":"ref22\/cit22","unstructured":"W3C Web Services Activity.http:\/\/www.w3.org\/2002\/ws\/(accessed Dec 4, 2007)."},{"key":"ref23\/cit23","unstructured":"Christensen, E.; Curbera, F.; Meredith, G.; Weerawarana, S.Web Services Description Language (WSDL) 1.1; W3C Recommendation.http:\/\/www.w3.org\/TR\/wsdl(accessed Dec 4, 2007) ."},{"key":"ref24\/cit24","unstructured":"Chemical Abstracts Service (CAS) Registry.http:\/\/www.cas.org\/(accessed May 26, 2007) ."},{"key":"ref25\/cit25","unstructured":"Garrett, J. J.Ajax: A New Approach to Web Applications; Adaptive Path, LLC, Feb 18, 2005.http:\/\/www.adaptivepath.com\/publications\/essays\/archives\/000385.php(accessed Dec 5, 2007)."},{"key":"ref26\/cit26","volume-title":"Preliminary Implementation of Thermochemical Data Web Services","author":"Devalia B. V.","year":"2006"},{"key":"ref27\/cit27","volume-title":"A Web Service Based Testing Framework for Thermodynamic Data","author":"Jain H. B.","year":"2008"},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"244","DOI":"10.1021\/ci00007a012","volume":"32","author":"Dalby A.","year":"1992","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"980","DOI":"10.1038\/nsb1203-980","volume":"10","author":"Berman H. M.","year":"2003","journal-title":"Nat. Struct. Biol."},{"key":"ref30\/cit30","volume-title":"A Service-Oriented Architecture (SOA) Model for Performing Chemical Equilibrium Analysis in a Distributed Framework by Consuming Java-based Equilibrium Web Services","author":"Chan W. W.","year":"2007"},{"key":"ref31\/cit31","volume-title":"MATLAB","year":"2007","edition":"2006"},{"key":"ref32\/cit32","unstructured":"Butek, R.; Gallardo, N.Web Services Hints and Tips: JAX-RPC versus JAX-WS, Part 4 The Dynamic Invocation Interfaces.http:\/\/www.ibm.com\/developerworks\/library\/ws-tip-jaxwsrpc4\/index.html(accessed Nov 28, 2007) ."},{"key":"ref33\/cit33","unstructured":"Java API for XML Registries (JAXR).http:\/\/java.sun.com\/webservices\/jaxr\/(accessed Dec 6, 2007) ."},{"key":"ref34\/cit34","unstructured":"UDDI.http:\/\/www.uddi.org\/(accessed Dec 6, 2007) ."},{"key":"ref35\/cit35","volume-title":"Computer Program for the Calculation of Complex Chemical Equilibrium Compositions and Applications - I. Analysis","author":"Gordon S.","year":"1994"},{"key":"ref36\/cit36","volume-title":"Computer Program for the Calculation of Complex Chemical Equilibrium Compositions and Applications - II. Users Manual and Program Description","author":"McBride B. J.","year":"1996"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci700457p","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,21]],"date-time":"2023-03-21T00:20:35Z","timestamp":1679358035000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci700457p"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2008,6,11]]},"references-count":36,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2008,7,1]]}},"alternative-id":["10.1021\/ci700457p"],"URL":"https:\/\/doi.org\/10.1021\/ci700457p","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2008,6,11]]}}}