{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,13]],"date-time":"2026-05-13T05:45:38Z","timestamp":1778651138240,"version":"3.51.4"},"reference-count":62,"publisher":"American Chemical Society (ACS)","issue":"52","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Am. Chem. Soc."],"published-print":{"date-parts":[[2008,12,31]]},"DOI":"10.1021\/ja807111y","type":"journal-article","created":{"date-parts":[[2008,12,24]],"date-time":"2008-12-24T18:16:32Z","timestamp":1230142592000},"page":"17955-17960","source":"Crossref","is-referenced-by-count":20,"title":["The Changing Hydrogen-Bond Network of Water from the Bulk to the Surface of a Cluster: A Born\u2212Oppenheimer Molecular Dynamics Study"],"prefix":"10.1021","volume":"130","author":[{"given":"N.","family":"Galamba","sequence":"first","affiliation":[{"name":"Grupo de F\u00edsica-Matem\u00e1tica da Universidade de Lisboa, Av. Prof. Gama Pinto 2, 1649-003 Lisboa, Portugal, and Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias da Universidade de Lisboa, 1749-016 Lisboa, Portugal"}]},{"given":"B. J. Costa","family":"Cabral","sequence":"additional","affiliation":[{"name":"Grupo de F\u00edsica-Matem\u00e1tica da Universidade de Lisboa, Av. Prof. Gama Pinto 2, 1649-003 Lisboa, Portugal, and Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias da Universidade de Lisboa, 1749-016 Lisboa, Portugal"}]}],"member":"316","published-online":{"date-parts":[[2008,12,2]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"451","DOI":"10.1126\/science.209.4455.451","volume":"209","author":"Stillinger F. H.","year":"1980","journal-title":"Science"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"928","DOI":"10.1103\/PhysRevLett.76.928","volume":"76","author":"Luzar A.","year":"1996","journal-title":"Phys. Rev. Lett."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"14311","DOI":"10.1021\/ja073977d","volume":"129","author":"Moilanen D. E.","year":"2007","journal-title":"J. Am. Chem. Soc."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"13847","DOI":"10.1021\/ja071933z","volume":"129","author":"Smith J. D.","year":"2007","journal-title":"J. Am. Chem. Soc."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"301","DOI":"10.1126\/science.288.5464.301","volume":"288","author":"Knipping E. M.","year":"2000","journal-title":"Science"},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"814","DOI":"10.1126\/science.1075798","volume":"298","author":"Jang M.","year":"2002","journal-title":"Science"},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"340","DOI":"10.1126\/science.1085374","volume":"301","author":"Laskin A.","year":"2003","journal-title":"Science"},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"1282","DOI":"10.1021\/cr040375t","volume":"106","author":"Mundy C. J.","year":"2006","journal-title":"Chem. Rev."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"2313","DOI":"10.1103\/PhysRevLett.70.2313","volume":"70","author":"Du Q.","year":"1993","journal-title":"Phys. Rev. Lett."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"3346","DOI":"10.1021\/jp010132u","volume":"105","author":"Wilson K. R.","year":"2001","journal-title":"J. Phys. Chem. B"},{"key":"ref11\/cit11","first-page":"L221","volume":"14","author":"Wilson K. R.","year":"2002","journal-title":"J. Phys.: Condens. Matter"},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"7738","DOI":"10.1063\/1.1508364","volume":"117","author":"Wilson K. R.","year":"2002","journal-title":"J. Chem. Phys."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"546","DOI":"10.1021\/jp021366w","volume":"107","author":"Raymond A. E.","year":"2003","journal-title":"J. Phys. Chem. B"},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"173901","DOI":"10.1103\/PhysRevLett.100.173901","volume":"100","author":"Sovago M.","year":"2008","journal-title":"Phys. Rev. Lett."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"2252","DOI":"10.1021\/jp036169r","volume":"108","author":"Liu D.","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"2083","DOI":"10.1103\/PhysRevLett.73.2083","volume":"73","author":"Benjamin I.","year":"1994","journal-title":"Phys. Rev. Lett."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"9815","DOI":"10.1063\/1.1413515","volume":"115","author":"Vassilev P.","year":"2001","journal-title":"J. Chem. Phys."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"658","DOI":"10.1126\/science.1092787","volume":"303","author":"Kuo I.-F. W.","year":"2004","journal-title":"Science"},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"1991","DOI":"10.1021\/j100368a050","volume":"94","author":"Townsend R. M.","year":"1990","journal-title":"J. Chem. Phys."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"8149","DOI":"10.1063\/1.473820","volume":"106","author":"Dang L. X.","year":"1997","journal-title":"J. Chem. Phys."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"86","DOI":"10.1006\/jcis.1996.0276","volume":"180","author":"Brodskaya E. N.","year":"1996","journal-title":"J. Colloid Interface Sci."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"11720","DOI":"10.1021\/jp960615b","volume":"100","author":"Taylor R. S.","year":"1996","journal-title":"J. Chem. Phys."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"17771","DOI":"10.1021\/jp052819a","volume":"109","author":"Buch V.","year":"2005","journal-title":"J. Phys. Chem. B"},{"key":"ref24\/cit24","first-page":"110","author":"Kuo I.-F. W.","year":"2006","journal-title":"J. Phys. Chem. B"},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"371","DOI":"10.1016\/S0301-0104(00)00127-0","volume":"258","author":"Morita A.","year":"2000","journal-title":"Chem. Phys."},{"key":"ref26\/cit26","first-page":"205105","volume":"20","author":"Cappa C. D.","year":"2008","journal-title":"J. Phys.: Condens. Matter"},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"B864","DOI":"10.1103\/PhysRev.136.B864","volume":"136","author":"Hohenberg P.","year":"1964","journal-title":"Phys. Rev. B"},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"A1133","DOI":"10.1103\/PhysRev.140.A1133","volume":"140","author":"Kohn W.","year":"1965","journal-title":"Phys. Rev. A"},{"key":"ref29\/cit29","volume-title":"Gaussian 03","author":"Frisch M. J.","year":"2004","edition":"02"},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"3865","DOI":"10.1103\/PhysRevLett.77.3865","volume":"77","author":"Perdew J. P.","year":"1996","journal-title":"Phys. Rev. Lett."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"1139","DOI":"10.1063\/1.1742731","volume":"24","author":"Benedict W. S.","year":"1956","journal-title":"J. Chem. Phys."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"735","DOI":"10.1063\/1.449486","volume":"83","author":"Reed A. E.","year":"1985","journal-title":"J. Chem. Phys."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"1833","DOI":"10.1063\/1.1740588","volume":"23","author":"Mulliken R. S.","year":"1955","journal-title":"J. Chem. Phys."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"97","DOI":"10.1002\/jcc.20157","volume":"26","author":"Zipse H.","year":"2005","journal-title":"J. Comput. Chem."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"2254","DOI":"10.1063\/1.1680328","volume":"59","author":"Clough S. A.","year":"1973","journal-title":"J. Chem. Phys."},{"key":"ref36\/cit36","volume-title":"Computer Simulations of Liquids","author":"Allen M. P.","year":"1987"},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"530","DOI":"10.1063\/1.447358","volume":"81","author":"Thompson S. M.","year":"1984","journal-title":"J. Chem. Phys."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"1249","DOI":"10.1126\/science.1136371","volume":"315","author":"Bukowski R.","year":"2007","journal-title":"Science"},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"215502","DOI":"10.1103\/PhysRevLett.96.215502","volume":"96","author":"Prendergast D.","year":"2006","journal-title":"Phys. Rev. Lett."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"084504","DOI":"10.1063\/1.2273627","volume":"125","author":"Hakala M.","year":"2006","journal-title":"J. Chem. Phys."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"851","DOI":"10.1126\/science.1102560","volume":"306","author":"Smith J. D.","year":"2004","journal-title":"Science"},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"7973","DOI":"10.1073\/pnas.0510593103","volume":"103","author":"Head-Gordon T.","year":"2006","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref43\/cit43","first-page":"100","author":"Hermann A.","year":"2008","journal-title":"Phys. Rev. Lett."},{"key":"ref44\/cit44","first-page":"129","author":"Leetmaa M.","year":"2008","journal-title":"J. Chem. Phys."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"387","DOI":"10.1016\/j.cplett.2008.04.077","volume":"460","author":"Tokushima T.","year":"2008","journal-title":"Chem. Phys. Lett."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"995","DOI":"10.1126\/science.1096205","volume":"304","author":"Wernet P.","year":"2004","journal-title":"Science"},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"10883","DOI":"10.1063\/1.467838","volume":"101","author":"Marti J.","year":"1994","journal-title":"J. Chem. Phys."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"2400","DOI":"10.1063\/1.473151","volume":"106","author":"Lobaugh J.","year":"1997","journal-title":"J. Chem. Phys."},{"key":"ref49\/cit49","volume-title":"Statistical Mechanics","author":"McQuarrie D. A.","year":"1976"},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"5565","DOI":"10.1063\/1.461630","volume":"95","author":"Mar\u00e9chal Y.","year":"1991","journal-title":"J. Chem. Phys."},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"9206","DOI":"10.1063\/1.481541","volume":"112","author":"Badyal Y. S.","year":"2000","journal-title":"J. Chem. Phys."},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"1411","DOI":"10.1080\/00268970701364938","volume":"105","author":"McGrath M. J.","year":"2007","journal-title":"Mol. Phys."},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"3308","DOI":"10.1103\/PhysRevLett.82.3308","volume":"82","author":"Silvestrelli P. L.","year":"1999","journal-title":"Phys. Rev. Lett."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"1683","DOI":"10.1080\/00268979909483112","volume":"96","author":"Site L. D.","year":"1999","journal-title":"Mol. Phys."},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"9080","DOI":"10.1063\/1.465574","volume":"99","author":"Laaksonen A.","year":"1993","journal-title":"J. Chem. Phys."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"445","DOI":"10.1098\/rspa.1966.0105","volume":"291","author":"Coulson C. A.","year":"1966","journal-title":"Proc. R. Soc. London A"},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"4546","DOI":"10.1063\/1.477058","volume":"109","author":"Batista E. R.","year":"1998","journal-title":"J. Chem. Phys."},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"814","DOI":"10.1126\/science.275.5301.814","volume":"275","author":"Gregory J. K.","year":"1997","journal-title":"Science"},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"4885","DOI":"10.1021\/jp801921f","volume":"112","author":"Kemp D. D.","year":"2008","journal-title":"J. Phys. Chem. A"},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"283","DOI":"10.1016\/S0009-2614(00)01026-5","volume":"329","author":"Tu Y.","year":"2000","journal-title":"Chem. Phys. Lett."},{"key":"ref61\/cit61","first-page":"128","author":"Abu-Samha M.","year":"2008","journal-title":"J. Chem. Phys."},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"79","DOI":"10.1080\/00268979100101071","volume":"73","author":"Ichikawa K.","year":"1991","journal-title":"Mol. Phys."}],"container-title":["Journal of the American Chemical Society"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ja807111y","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,15]],"date-time":"2023-03-15T01:43:59Z","timestamp":1678844639000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ja807111y"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2008,12,2]]},"references-count":62,"journal-issue":{"issue":"52","published-print":{"date-parts":[[2008,12,31]]}},"alternative-id":["10.1021\/ja807111y"],"URL":"https:\/\/doi.org\/10.1021\/ja807111y","relation":{},"ISSN":["0002-7863","1520-5126"],"issn-type":[{"value":"0002-7863","type":"print"},{"value":"1520-5126","type":"electronic"}],"subject":[],"published":{"date-parts":[[2008,12,2]]}}}