{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,3,27]],"date-time":"2025-03-27T16:47:38Z","timestamp":1743094058215,"version":"3.40.3"},"publisher-location":"Cham","reference-count":17,"publisher":"Springer International Publishing","isbn-type":[{"type":"print","value":"9783319108933"},{"type":"electronic","value":"9783319108940"}],"license":[{"start":{"date-parts":[[2014,1,1]],"date-time":"2014-01-01T00:00:00Z","timestamp":1388534400000},"content-version":"unspecified","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2014]]},"DOI":"10.1007\/978-3-319-10894-0_18","type":"book-chapter","created":{"date-parts":[[2014,8,25]],"date-time":"2014-08-25T04:54:47Z","timestamp":1408942487000},"page":"250-262","source":"Crossref","is-referenced-by-count":2,"title":["Comprehensive Support for Chemistry Computations in PL-Grid Infrastructure"],"prefix":"10.1007","author":[{"given":"Andrzej","family":"Eilmes","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mariusz","family":"Sterzel","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tomasz","family":"Szepieniec","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Joanna","family":"Kocot","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Klemens","family":"Noga","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Maciej","family":"Golik","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","reference":[{"key":"18_CR1","unstructured":"The 2013 Nobel Prize in Chemistry \u2013 Laureates (2013), \n                  \n                    http:\/\/www.nobelprize.org\/nobel_prizes\/chemistry\/laureates\/2013\/"},{"key":"18_CR2","unstructured":"Computational Chemistry List, \n                  \n                    http:\/\/www.ccl.net\/"},{"key":"18_CR3","unstructured":"cclib, \n                  \n                    http:\/\/cclib.sourceforge.net\/"},{"key":"18_CR4","series-title":"Lecture Notes in Computer Science","doi-asserted-by":"publisher","first-page":"40","DOI":"10.1007\/978-3-642-28267-6_4","volume-title":"Building a National Distributed e-Infrastructure\u2013PL-Grid","author":"B. Bosak","year":"2012","unstructured":"Bosak, B., Komasa, J., Kopta, P., Kurowski, K., Mamo\u0144ski, M., Piontek, T.: New Capabilities in QosCosGrid Middleware for Advanced Job Management, Advance Reservation and Co-allocation of Computing Resources \u2013 Quantum Chemistry Application Use Case. In: Bubak, M., Szepieniec, T., Wiatr, K. (eds.) PL-Grid 2011. LNCS, vol.\u00a07136, pp. 40\u201355. Springer, Heidelberg (2012)"},{"key":"18_CR5","doi-asserted-by":"crossref","unstructured":"Benedyczak, K., Stolarek, M., Rowicki, R., Kluszczy\u0144ski, R., Borcz, M., Marczak, G., Filocha, M., Ba\u0142a, P.: Seamless Access to the PL-Grid e-Infrastructure Using UNICORE Middleware, ibid, pp. 56\u201372","DOI":"10.1007\/978-3-642-28267-6_5"},{"key":"18_CR6","doi-asserted-by":"crossref","unstructured":"Dziubecki, P., Grabowski, P., Krysi\u0144ski, M., Kuczy\u0144ski, T., Kurowski, K., Piontek, T., Szejnfeld, D.: Online Web-Based Science Gateway for Nanotechnology Research, ibid, pp. 205\u2013216","DOI":"10.1007\/978-3-642-28267-6_16"},{"key":"18_CR7","doi-asserted-by":"crossref","unstructured":"Kocot, J., Szepieniec, T., Har\u0119\u017alak, D., Noga, K., Sterzel, M.: InSilicoLab \u2013 Managing Complexity of Chemistry Computations, ibid, pp. 265\u2013275","DOI":"10.1007\/978-3-642-28267-6_21"},{"key":"18_CR8","unstructured":"InSilicoLab \u2013 an application portal supporting in silico experiments on e-Infrastructures, \n                  \n                    http:\/\/insilicolab.cyfronet.pl\/"},{"key":"18_CR9","unstructured":"Jmol: an open-source Java viewer for chemical structures in 3D, \n                  \n                    http:\/\/www.jmol.org\/"},{"key":"18_CR10","unstructured":"Open Babel: the Open Source Chemistry Toolbox, \n                  \n                    http:\/\/openbabel.org"},{"key":"18_CR11","unstructured":"Polish GRID Certification Authority, \n                  \n                    http:\/\/plgrid-ca.pl"},{"key":"18_CR12","unstructured":"gLite: Middleware for Grid Computing, \n                  \n                    http:\/\/glite.web.cern.ch\/glite\/"},{"key":"18_CR13","first-page":"619","volume":"110","author":"P.P. Roma\u0144czyk","year":"2013","unstructured":"Roma\u0144czyk, P.P., Noga, K., Rado\u0144, M., Rotko, G., Kurek, S.S.: On the role of noncovalent interactions in electrocatalysis. Two cases of mediated reductive dehalogenation, Electrochim. Acta\u00a0110, 619\u2013627 (2013)","journal-title":"Two cases of mediated reductive dehalogenation, Electrochim. Acta"},{"key":"18_CR14","doi-asserted-by":"publisher","first-page":"2629","DOI":"10.1021\/jp3117209","volume":"117","author":"A. Eilmes","year":"2013","unstructured":"Eilmes, A.: Spiropyran to Merocyanine Conversion: Explicit versus Implicit Solvent Modeling. J. Phys. Chem. A\u00a0117, 2629\u20132635 (2013)","journal-title":"J. Phys. Chem. A"},{"key":"18_CR15","unstructured":"Niedoida: general purpose computational chemistry package, \n                  \n                    http:\/\/www.chemia.uj.edu.pl\/~niedoida\/"},{"key":"18_CR16","first-page":"115","volume":"28","author":"G. Mazur","year":"2009","unstructured":"Mazur, G., Makowski, M.: Development and Optimization of Computational Chemistry Algorithms. Computing and Informatics\u00a028, 115\u2013125 (2009)","journal-title":"Computing and Informatics"},{"key":"18_CR17","doi-asserted-by":"publisher","first-page":"811","DOI":"10.1002\/jcc.21102","volume":"30","author":"G. Mazur","year":"2009","unstructured":"Mazur, G., W\u0142odarczyk, R.: Application of the Dressed Time-Dependent Density Functional Theory for the Excited States of Linear Polyenes. J. Comp. Chem.\u00a030, 811\u2013817 (2009)","journal-title":"J. Comp. Chem."}],"container-title":["Lecture Notes in Computer Science","eScience on Distributed Computing Infrastructure"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/978-3-319-10894-0_18","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,5,19]],"date-time":"2019-05-19T23:03:37Z","timestamp":1558307017000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/978-3-319-10894-0_18"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2014]]},"ISBN":["9783319108933","9783319108940"],"references-count":17,"URL":"https:\/\/doi.org\/10.1007\/978-3-319-10894-0_18","relation":{},"ISSN":["0302-9743","1611-3349"],"issn-type":[{"type":"print","value":"0302-9743"},{"type":"electronic","value":"1611-3349"}],"subject":[],"published":{"date-parts":[[2014]]}}}