{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,27]],"date-time":"2025-10-27T15:58:51Z","timestamp":1761580731871},"reference-count":83,"publisher":"American Chemical Society (ACS)","issue":"50","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. B"],"published-print":{"date-parts":[[2009,12,17]]},"DOI":"10.1021\/jp904901b","type":"journal-article","created":{"date-parts":[[2009,11,23]],"date-time":"2009-11-23T17:25:56Z","timestamp":1258997156000},"page":"16151-16158","source":"Crossref","is-referenced-by-count":15,"title":["Born\u2212Oppenheimer Molecular Dynamics of the Hydration of Na<sup>+<\/sup> in a Water Cluster"],"prefix":"10.1021","volume":"113","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"}]},{"given":"B. J.","family":"Costa Cabral","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias da Universidade de Lisboa, 1749-016 Lisboa, Portugal, and Grupo de F\u00edsica-Matem\u00e1tica da Universidade de Lisboa, Av. Prof. Gama Pinto 2, 1649-003 Lisboa, Portugal"}]}],"member":"316","published-online":{"date-parts":[[2009,11,23]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"1456","DOI":"10.1021\/cr0206622","volume":"108","author":"Bakker H. J.","year":"2008","journal-title":"Chem. Rev."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"1305","DOI":"10.1021\/cr0403640","volume":"106","author":"Chang T. M.","year":"2006","journal-title":"Chem. Rev."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"1259","DOI":"10.1021\/cr0403741","volume":"106","author":"Jungwirth P.","year":"2006","journal-title":"Chem. Rev."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"343","DOI":"10.1146\/annurev.physchem.59.032607.093749","volume":"59","author":"Jungwirth P.","year":"2008","journal-title":"Annu. Rev. Phys. Chem."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"1346","DOI":"10.1021\/cr8003828","volume":"109","author":"Marcus Y.","year":"2009","journal-title":"Chem. Rev."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"333","DOI":"10.1146\/annurev.physchem.57.032905.104609","volume":"57","author":"Petersen P. B.","year":"2006","journal-title":"Annu. Rev. Phys. Chem."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"173","DOI":"10.1146\/annurev.physchem.54.011002.103801","volume":"54","author":"Robertson W. H.","year":"2003","journal-title":"Annu. Rev. Phys. Chem."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1016\/j.cplett.2009.01.005","volume":"469","author":"Benjamin I.","year":"2009","journal-title":"Chem. Phys. Lett."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"8768","DOI":"10.1021\/j100021a050","volume":"99","author":"Hu J. H.","year":"1995","journal-title":"J. Phys. Chem."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"340","DOI":"10.1126\/science.1085374","volume":"301","author":"Laskin A.","year":"2003","journal-title":"Science"},{"key":"ref11\/cit11","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":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"11559","DOI":"10.1021\/jp0467346","volume":"108","author":"Hunt S. W.","year":"2004","journal-title":"J. Phys. Chem. A"},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"70","DOI":"10.1016\/j.cplett.2005.06.009","volume":"411","author":"Tuma L.","year":"2005","journal-title":"Chem. Phys. Lett."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"10468","DOI":"10.1021\/jp012750g","volume":"105","author":"Jungwirth P.","year":"2001","journal-title":"J. Phys. Chem. B"},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"6361","DOI":"10.1021\/jp020242g","volume":"106","author":"Jungwirth P.","year":"2002","journal-title":"J. Phys. Chem. B"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"10388","DOI":"10.1021\/jp021871t","volume":"106","author":"Dang L. X.","year":"2002","journal-title":"J. Phys. Chem. B"},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1021\/jp011853w","volume":"106","author":"Dang L. X.","year":"2002","journal-title":"J. Phys. Chem. B"},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"4729","DOI":"10.1021\/jp030776x","volume":"108","author":"Weber R.","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"12378","DOI":"10.1021\/jp805490f","volume":"112","author":"Ghosal S.","year":"2008","journal-title":"J. Phys. Chem. A"},{"key":"ref20\/cit20","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":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"14060","DOI":"10.1021\/jp0601825","volume":"110","author":"Petersen P. B.","year":"2006","journal-title":"J. Phys. Chem. B"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"5051","DOI":"10.1021\/jp037725k","volume":"108","author":"Raymond E. A.","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"1146","DOI":"10.1126\/science.1089801","volume":"303","author":"Garrett B. C.","year":"2004","journal-title":"Science"},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"3085","DOI":"10.1063\/1.466450","volume":"100","author":"Perera L.","year":"1994","journal-title":"J. Chem. Phys."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"1954","DOI":"10.1063\/1.460992","volume":"95","author":"Perera L.","year":"1991","journal-title":"J. Chem. Phys."},{"key":"ref26\/cit26","first-page":"100","author":"Stuart S. J.","year":"1996","journal-title":"J. Phys. Chem."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"4236","DOI":"10.1063\/1.466234","volume":"99","author":"Perera L.","year":"1993","journal-title":"J. Chem. Phys."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"8288","DOI":"10.1063\/1.462332","volume":"96","author":"Perera L.","year":"1992","journal-title":"J. Chem. Phys."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"37","DOI":"10.1038\/35102000","volume":"414","author":"Morais-Cabral J. H.","year":"2001","journal-title":"Nature"},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"247","DOI":"10.1007\/BF01918191","volume":"24","author":"Hofmeister F.","year":"1888","journal-title":"Arch. Exp. Path. Pharmakol."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"2056","DOI":"10.1016\/S0006-3495(96)79404-3","volume":"71","author":"Baldwin R. L.","year":"1996","journal-title":"Biophys. J."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"1958","DOI":"10.1021\/ja039335h","volume":"126","author":"Batchelor J. D.","year":"2004","journal-title":"J. Am. Chem. Soc."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"364","DOI":"10.1038\/378364a0","volume":"378","author":"Leberman R.","year":"1995","journal-title":"Nature"},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"13570","DOI":"10.1021\/jp075913v","volume":"111","author":"Mancinelli R.","year":"2007","journal-title":"J. Phys. Chem. B"},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"2959","DOI":"10.1039\/b701855j","volume":"9","author":"Mancinelli R.","year":"2007","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"768","DOI":"10.1103\/PhysRevLett.85.768","volume":"85","author":"Chandra A.","year":"2000","journal-title":"Phys. Rev. Lett."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"8907","DOI":"10.1002\/anie.200702736","volume":"46","author":"Holzmann J.","year":"2007","journal-title":"Angew. Chem., Int. Ed."},{"key":"ref38\/cit38","first-page":"S3215","volume":"17","author":"Bakker H. J.","year":"2005","journal-title":"J. Phys.: Condens. Matter"},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"8942","DOI":"10.1063\/1.1412249","volume":"115","author":"Kropman M. F.","year":"2001","journal-title":"J. Chem. Phys."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"9135","DOI":"10.1021\/ja039147r","volume":"126","author":"Kropman M. F.","year":"2004","journal-title":"J. Am. Chem. Soc."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"077601","DOI":"10.1103\/PhysRevLett.88.077601","volume":"88","author":"Kropman M. F.","year":"2002","journal-title":"Phys. Rev. Lett."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"347","DOI":"10.1126\/science.1084801","volume":"301","author":"Omta A. W.","year":"2003","journal-title":"Science"},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"3120","DOI":"10.1063\/1.1342815","volume":"114","author":"Lyubartsev A. P.","year":"2001","journal-title":"J. Chem. Phys."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"1197","DOI":"10.1126\/science.1152799","volume":"319","author":"Tobias D. J.","year":"2008","journal-title":"Science"},{"key":"ref45\/cit45","first-page":"126","author":"Ikeda T.","year":"2007","journal-title":"J. Chem. Phys."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"5080","DOI":"10.1063\/1.443682","volume":"77","author":"Chandrasekhar J.","year":"1982","journal-title":"J. Chem. Phys."},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"903","DOI":"10.1021\/ja00316a012","volume":"106","author":"Chandrasekhar J.","year":"1984","journal-title":"J. Am. Chem. Soc."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"15677","DOI":"10.1021\/jp961384b","volume":"100","author":"Obst S.","year":"1996","journal-title":"J. Phys. Chem."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"4336","DOI":"10.1063\/1.463903","volume":"97","author":"Zhu S. B.","year":"1992","journal-title":"J. Chem. Phys."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"6902","DOI":"10.1063\/1.441101","volume":"74","author":"Mezei M.","year":"1981","journal-title":"J. Chem. Phys."},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"6964","DOI":"10.1063\/1.468323","volume":"101","author":"Lee S. H.","year":"1994","journal-title":"J. Chem. Phys."},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"1420","DOI":"10.1021\/jp953050c","volume":"100","author":"Lee S. H.","year":"1996","journal-title":"J. Phys. Chem."},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"5518","DOI":"10.1063\/1.472392","volume":"105","author":"Toth G.","year":"1996","journal-title":"J. Chem. Phys."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"1335","DOI":"10.1080\/00268978500101041","volume":"54","author":"Bounds D. G.","year":"1985","journal-title":"Mol. Phys."},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"4564","DOI":"10.1063\/1.447430","volume":"81","author":"Nguyen H. L.","year":"1984","journal-title":"J. Chem. Phys."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"5071","DOI":"10.1021\/j150643a008","volume":"87","author":"Impey R. W.","year":"1983","journal-title":"J. Phys. Chem."},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"3070","DOI":"10.1063\/1.477903","volume":"110","author":"Degreve L.","year":"1999","journal-title":"J. Chem. Phys."},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"10340","DOI":"10.1021\/jp982270y","volume":"102","author":"Tongraar A.","year":"1998","journal-title":"J. Phys. Chem. A"},{"key":"ref59\/cit59","first-page":"113","author":"White J. A.","year":"2000","journal-title":"J. Chem. Phys."},{"key":"ref60\/cit60","first-page":"130","author":"Scipioni R.","year":"2009","journal-title":"J. Chem. Phys."},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"17955","DOI":"10.1021\/ja807111y","volume":"130","author":"Galamba N.","year":"2008","journal-title":"J. Am. Chem. Soc."},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"300","DOI":"10.1063\/1.1630560","volume":"120","author":"Grossman J. C.","year":"2004","journal-title":"J. Chem. Phys."},{"key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"5400","DOI":"10.1063\/1.1782074","volume":"121","author":"Schwegler E.","year":"2004","journal-title":"J. Chem. Phys."},{"key":"ref64\/cit64","volume-title":"Gaussian 03","author":"Frisch M. J.","year":"2004"},{"key":"ref65\/cit65","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":"ref66\/cit66","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":"ref67\/cit67","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":"ref68\/cit68","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":"ref69\/cit69","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":"ref70\/cit70","author":"Galamba N.","year":"2009","journal-title":"J. Phys. Chem. A"},{"key":"ref71\/cit71","volume-title":"Computer Simulations of Liquids","author":"Allen M. P.","year":"1987"},{"key":"ref72\/cit72","doi-asserted-by":"crossref","first-page":"1914","DOI":"10.1002\/cphc.200800236","volume":"9","author":"Schmidt D. A.","year":"2008","journal-title":"Chem. Phys. Chem."},{"key":"ref73\/cit73","first-page":"4141","volume":"1","author":"Skipper N. T.","year":"1989","journal-title":"J. Phys.: Condens. Matter"},{"key":"ref74\/cit74","doi-asserted-by":"crossref","first-page":"121","DOI":"10.1016\/S0301-0104(00)00179-8","volume":"258","author":"Soper A. K.","year":"2000","journal-title":"Chem. Phys."},{"key":"ref75\/cit75","doi-asserted-by":"crossref","first-page":"9149","DOI":"10.1063\/1.1319615","volume":"113","author":"Sorenson J. M.","year":"2000","journal-title":"J. Chem. Phys."},{"key":"ref76\/cit76","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":"ref77\/cit77","doi-asserted-by":"crossref","first-page":"11993","DOI":"10.1021\/jp026419o","volume":"106","author":"Rey R.","year":"2002","journal-title":"J. Phys. Chem. A"},{"key":"ref78\/cit78","doi-asserted-by":"crossref","first-page":"5021","DOI":"10.1039\/b310657h","volume":"5","author":"Schulz F.","year":"2003","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref79\/cit79","doi-asserted-by":"crossref","first-page":"20451","DOI":"10.1021\/jp063063y","volume":"110","author":"Walker D. S.","year":"2006","journal-title":"J. Phys. Chem. B"},{"key":"ref80\/cit80","first-page":"128","author":"Krekeler C.","year":"2008","journal-title":"J. Chem. Phys."},{"key":"ref81\/cit81","doi-asserted-by":"crossref","first-page":"5393","DOI":"10.1021\/jp014063v","volume":"106","author":"Stangret J.","year":"2002","journal-title":"J. Phys. Chem. B"},{"key":"ref82\/cit82","first-page":"125","author":"Martinez M.","year":"2006","journal-title":"J. Chem. Phys."},{"key":"ref83\/cit83","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."}],"container-title":["The Journal of Physical Chemistry B"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jp904901b","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,6]],"date-time":"2023-03-06T05:31:10Z","timestamp":1678080670000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/jp904901b"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2009,11,23]]},"references-count":83,"journal-issue":{"issue":"50","published-print":{"date-parts":[[2009,12,17]]}},"alternative-id":["10.1021\/jp904901b"],"URL":"https:\/\/doi.org\/10.1021\/jp904901b","relation":{},"ISSN":["1520-6106","1520-5207"],"issn-type":[{"value":"1520-6106","type":"print"},{"value":"1520-5207","type":"electronic"}],"subject":[],"published":{"date-parts":[[2009,11,23]]}}}