{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,2]],"date-time":"2026-03-02T07:58:48Z","timestamp":1772438328873,"version":"3.50.1"},"reference-count":100,"publisher":"Springer Science and Business Media LLC","issue":"5","license":[{"start":{"date-parts":[[2015,5,1]],"date-time":"2015-05-01T00:00:00Z","timestamp":1430438400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"funder":[{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"publisher","award":["SFRH\/BPD\/64566\/2009"],"award-info":[{"award-number":["SFRH\/BPD\/64566\/2009"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Theor Chem Acc"],"published-print":{"date-parts":[[2015,5]]},"DOI":"10.1007\/s00214-015-1666-y","type":"journal-article","created":{"date-parts":[[2015,5,2]],"date-time":"2015-05-02T01:33:24Z","timestamp":1430530404000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":22,"title":["Effect of van der Waals interactions in the DFT description of self-assembled monolayers of thiols on gold"],"prefix":"10.1007","volume":"134","author":[{"given":"Jos\u00e9 L. C.","family":"Faj\u00edn","sequence":"first","affiliation":[]},{"given":"Filipe","family":"Teixeira","sequence":"additional","affiliation":[]},{"given":"Jos\u00e9 R. B.","family":"Gomes","sequence":"additional","affiliation":[]},{"given":"M. Nat\u00e1lia D. S.","family":"Cordeiro","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2015,5,3]]},"reference":[{"key":"1666_CR1","doi-asserted-by":"crossref","first-page":"1014","DOI":"10.1016\/j.talanta.2007.08.006","volume":"74","author":"CSH Dom\u00ednguez","year":"2008","unstructured":"Dom\u00ednguez CSH, Quintana C, Vicente J, Hern\u00e1ndez P, Hern\u00e1ndez L (2008) Talanta 74:1014\u20131019","journal-title":"Talanta"},{"key":"1666_CR2","doi-asserted-by":"crossref","first-page":"73","DOI":"10.1016\/0302-4598(94)01724-F","volume":"36","author":"X-D Dong","year":"1995","unstructured":"Dong X-D, Lu J, Cha C (1995) Bioelectrochem Bioenerg 36:73\u201376","journal-title":"Bioelectrochem Bioenerg"},{"key":"1666_CR3","doi-asserted-by":"crossref","first-page":"146","DOI":"10.1016\/j.colsurfb.2007.09.013","volume":"62","author":"C Guo","year":"2008","unstructured":"Guo C, Boullanger P, Jiang L, Liu T (2008) Colloid Surf B 62:146\u2013150","journal-title":"Colloid Surf B"},{"key":"1666_CR4","doi-asserted-by":"crossref","first-page":"2457","DOI":"10.1021\/bm070352z","volume":"8","author":"M Kondo","year":"2007","unstructured":"Kondo M, Nakamura Y, Fujii K, Nagata M, Suemori Y, Dewa T, Iida K, Gardiner AT, Cogdell RJ, Nango M (2007) Biomacromolecules 8:2457\u20132463","journal-title":"Biomacromolecules"},{"key":"1666_CR5","doi-asserted-by":"crossref","first-page":"5499","DOI":"10.1021\/ja710845v","volume":"130","author":"N Crivillers","year":"2008","unstructured":"Crivillers N, Mas-Torrent M, Vidal-Gancedo J, Veciana J, Rovira C (2008) J Am Chem Soc 130:5499\u20135506","journal-title":"J Am Chem Soc"},{"key":"1666_CR6","doi-asserted-by":"crossref","first-page":"5031","DOI":"10.1021\/la803907p","volume":"25","author":"G Pattanaik","year":"2009","unstructured":"Pattanaik G, Shao W, Swami N, Zangari G (2009) Langmuir 25:5031\u20135038","journal-title":"Langmuir"},{"key":"1666_CR7","doi-asserted-by":"crossref","first-page":"17899","DOI":"10.1021\/jp9071873","volume":"113","author":"F Li","year":"2009","unstructured":"Li F, Tang L, Zhou W, Guo Q (2009) J Phys Chem C 113:17899\u201317903","journal-title":"J Phys Chem C"},{"key":"1666_CR8","doi-asserted-by":"crossref","first-page":"4097","DOI":"10.1021\/la7032675","volume":"24","author":"O Palyvoda","year":"2008","unstructured":"Palyvoda O, Bordenyuk AN, Yatawara AK, McCullen E, Chen C-C, Benderskii AV, Auner GW (2008) Langmuir 24:4097\u20134106","journal-title":"Langmuir"},{"key":"1666_CR9","doi-asserted-by":"crossref","first-page":"3683","DOI":"10.1002\/ejic.200500270","volume":"2005","author":"V Jacobsen","year":"2005","unstructured":"Jacobsen V, Zhu T, Knoll W, Kreiter M (2005) Eur J Inorg Chem 2005:3683\u20133690","journal-title":"Eur J Inorg Chem"},{"key":"1666_CR10","doi-asserted-by":"crossref","first-page":"90","DOI":"10.1016\/j.electacta.2009.08.013","volume":"55","author":"JM Campi\u00f1a","year":"2009","unstructured":"Campi\u00f1a JM, Martins A, Silva F (2009) Electrochem Acta 55:90\u2013103","journal-title":"Electrochem Acta"},{"key":"1666_CR11","doi-asserted-by":"crossref","first-page":"826","DOI":"10.1021\/la062334t","volume":"23","author":"I-IS Lim","year":"2007","unstructured":"Lim I-IS, Ip W, Crew E, Njoki PN, Mott D, Zhong C-J, Pan Y, Zhou S (2007) Langmuir 23:826\u2013833","journal-title":"Langmuir"},{"key":"1666_CR12","doi-asserted-by":"crossref","first-page":"120","DOI":"10.1016\/j.snb.2007.07.136","volume":"130","author":"AD Taylor","year":"2008","unstructured":"Taylor AD, Ladd J, Etheridge S, Deeds J, Hall S, Jiang S (2008) Sens Actuator B 130:120\u2013128","journal-title":"Sens Actuator B"},{"key":"1666_CR13","doi-asserted-by":"crossref","first-page":"4320","DOI":"10.1021\/jp8109868","volume":"113","author":"C Waring","year":"2009","unstructured":"Waring C, Bagot PAJ, R\u00e4is\u00e4nen MT, Costen ML, McKendrick KG (2009) J Phys Chem A 113:4320\u20134329","journal-title":"J Phys Chem A"},{"key":"1666_CR14","doi-asserted-by":"crossref","first-page":"7431","DOI":"10.1021\/jp7112285","volume":"112","author":"C Dubois","year":"2008","unstructured":"Dubois C, Stellacci F (2008) J Phys Chem C 112:7431\u20137435","journal-title":"J Phys Chem C"},{"key":"1666_CR15","doi-asserted-by":"crossref","first-page":"678","DOI":"10.1063\/1.464613","volume":"98","author":"LH Dubois","year":"1993","unstructured":"Dubois LH, Zegarski BR, Nuzzo RG (1993) J Chem Phys 98:678\u2013688","journal-title":"J Chem Phys"},{"key":"1666_CR16","doi-asserted-by":"crossref","first-page":"51","DOI":"10.1002\/sia.2722","volume":"40","author":"T Laiho","year":"2008","unstructured":"Laiho T, Leiro JA (2008) Surf Interface Anal 40:51\u201359","journal-title":"Surf Interface Anal"},{"key":"1666_CR17","doi-asserted-by":"crossref","first-page":"4577","DOI":"10.1021\/la703504m","volume":"24","author":"L M\u00fcller-Meskamp","year":"2008","unstructured":"M\u00fcller-Meskamp L, Karth\u00e4user S, Waser R, Homberger M, Simon U (2008) Langmuir 24:4577\u20134580","journal-title":"Langmuir"},{"key":"1666_CR18","first-page":"600","volume":"313\u2013314","author":"SY Oh","year":"2008","unstructured":"Oh SY, Chung CM, Kim DH, Lee SG (2008) Colloid Surf A 313\u2013314:600\u2013603","journal-title":"Colloid Surf A"},{"key":"1666_CR19","doi-asserted-by":"crossref","first-page":"217801","DOI":"10.1103\/PhysRevLett.100.217801","volume":"100","author":"N Okabayashi","year":"2008","unstructured":"Okabayashi N, Konda Y, Komeda T (2008) Phys Rev Lett 100:217801","journal-title":"Phys Rev Lett"},{"key":"1666_CR20","doi-asserted-by":"crossref","first-page":"1265","DOI":"10.1021\/la803179q","volume":"25","author":"MI B\u00e9thencourt","year":"2009","unstructured":"B\u00e9thencourt MI, Srisombat L-O, Chinwangso P, Lee TR (2009) Langmuir 25:1265\u20131271","journal-title":"Langmuir"},{"key":"1666_CR21","doi-asserted-by":"crossref","first-page":"9937","DOI":"10.1021\/la800905e","volume":"24","author":"M Sharma","year":"2008","unstructured":"Sharma M, Komiyama M, Engstrom JR (2008) Langmuir 24:9937\u20139940","journal-title":"Langmuir"},{"key":"1666_CR22","doi-asserted-by":"crossref","first-page":"959","DOI":"10.1021\/la802966s","volume":"25","author":"C Silien","year":"2009","unstructured":"Silien C, Buck M, Goretzki G, Lahaye D, Champness NR, Weidner T, Zharnikov M (2009) Langmuir 25:959\u2013967","journal-title":"Langmuir"},{"key":"1666_CR23","doi-asserted-by":"crossref","first-page":"368","DOI":"10.1016\/S0039-6028(99)01083-3","volume":"445","author":"R Staub","year":"2000","unstructured":"Staub R, Toerker M, Fritz T, Schmitz-H\u00fcbsch T, Sellam F, Leo K (2000) Surf Sci 445:368\u2013379","journal-title":"Surf Sci"},{"key":"1666_CR24","doi-asserted-by":"crossref","first-page":"4575","DOI":"10.1021\/jp809975x","volume":"113","author":"Y Ge","year":"2009","unstructured":"Ge Y, Weidner T, Ahn H, Whitten JE, Zharnikov M (2009) J Phys Chem C 113:4575\u20134583","journal-title":"J Phys Chem C"},{"key":"1666_CR25","doi-asserted-by":"crossref","first-page":"135","DOI":"10.1007\/s00216-007-1184-4","volume":"388","author":"S Subramanian","year":"2007","unstructured":"Subramanian S, Sampath S (2007) Anal Bioanal Chem 388:135\u2013145","journal-title":"Anal Bioanal Chem"},{"key":"1666_CR26","doi-asserted-by":"crossref","first-page":"8885","DOI":"10.1021\/la801680d","volume":"24","author":"BM Lamb","year":"2008","unstructured":"Lamb BM, Barrett DG, Westcott NP, Yousaf MN (2008) Langmuir 24:8885\u20138889","journal-title":"Langmuir"},{"key":"1666_CR27","doi-asserted-by":"crossref","first-page":"2484","DOI":"10.1002\/anie.200704731","volume":"47","author":"G Pace","year":"2008","unstructured":"Pace G, Petitjean A, Lalloz-Vogel M-N, Harrowfield J, Lehn J-M, Samor\u00ec P (2008) Angew Chem Int Ed 47:2484\u20132488","journal-title":"Angew Chem Int Ed"},{"key":"1666_CR28","doi-asserted-by":"crossref","first-page":"4900","DOI":"10.1016\/j.electacta.2008.01.038","volume":"53","author":"PH Phong","year":"2008","unstructured":"Phong PH, Tomono H, Nishi N, Yamamoto M, Kakiuchi T (2008) Electrochim Acta 53:4900\u20134906","journal-title":"Electrochim Acta"},{"key":"1666_CR29","doi-asserted-by":"crossref","first-page":"18795","DOI":"10.1021\/jp906494u","volume":"113","author":"T Hayashi","year":"2009","unstructured":"Hayashi T, Wakamatsu K, Ito E, Hara M (2009) J Phys Chem C 113:18795\u201318799","journal-title":"J Phys Chem C"},{"key":"1666_CR30","doi-asserted-by":"crossref","first-page":"41","DOI":"10.1021\/la902082j","volume":"26","author":"L-O Srisombat","year":"2010","unstructured":"Srisombat L-O, Zhang S, Lee TR (2010) Langmuir 26:41\u201346","journal-title":"Langmuir"},{"key":"1666_CR31","doi-asserted-by":"crossref","first-page":"116","DOI":"10.1016\/j.comptc.2011.03.014","volume":"975","author":"R Nadler","year":"2011","unstructured":"Nadler R, S\u00e1nchez-de-Armas R, Sanz JF (2011) Comput Theoretical Chem 975:116\u2013121","journal-title":"Comput Theoretical Chem"},{"key":"1666_CR32","doi-asserted-by":"crossref","first-page":"8120","DOI":"10.1021\/jp101998q","volume":"114","author":"S Hattori","year":"2010","unstructured":"Hattori S, Kano S, Azuma Y, Majima Y (2010) J Phys Chem C 114:8120\u20138125","journal-title":"J Phys Chem C"},{"key":"1666_CR33","doi-asserted-by":"crossref","first-page":"943","DOI":"10.1126\/science.1158532","volume":"321","author":"A Cossaro","year":"2008","unstructured":"Cossaro A, Mazzarello R, Rousseau R, Casalis L, Verdini A, Kohlmeyer A, Floreano L, Scandolo S, Morgante A, Klein ML, Scoles G (2008) Science 321:943\u2013946","journal-title":"Science"},{"key":"1666_CR34","doi-asserted-by":"crossref","first-page":"9444","DOI":"10.1021\/jp102036r","volume":"114","author":"F Tielens","year":"2010","unstructured":"Tielens F, Santos E (2010) J Phys Chem C 114:9444\u20139452","journal-title":"J Phys Chem C"},{"key":"1666_CR35","doi-asserted-by":"crossref","first-page":"10435","DOI":"10.1021\/la902168u","volume":"25","author":"L Kankate","year":"2009","unstructured":"Kankate L, Turchanin A, G\u00f6lzh\u00e4user A (2009) Langmuir 25:10435\u201310438","journal-title":"Langmuir"},{"key":"1666_CR36","doi-asserted-by":"crossref","first-page":"9389","DOI":"10.1021\/ja00074a004","volume":"115","author":"H Sellers","year":"1993","unstructured":"Sellers H, Ulman A, Shnidman Y, Eilers JE (1993) J Am Chem Soc 115:9389\u20139401","journal-title":"J Am Chem Soc"},{"key":"1666_CR37","doi-asserted-by":"crossref","first-page":"5661","DOI":"10.1021\/la804251a","volume":"25","author":"E Cort\u00e9s","year":"2009","unstructured":"Cort\u00e9s E, Rubert AA, Benitez G, Carro P, Vela ME, Salvarezza RC (2009) Langmuir 25:5661\u20135666","journal-title":"Langmuir"},{"key":"1666_CR38","doi-asserted-by":"crossref","first-page":"424028","DOI":"10.1088\/0957-4484\/18\/42\/424028","volume":"18","author":"R Desikan","year":"2007","unstructured":"Desikan R, Armel S, Meyer HM III, Thundat T (2007) Nanotechnology 18:424028","journal-title":"Nanotechnology"},{"key":"1666_CR39","doi-asserted-by":"crossref","first-page":"999","DOI":"10.1002\/cphc.201000803","volume":"12","author":"E Torres","year":"2011","unstructured":"Torres E, Blumenau AT, Biedermann PU (2011) Chem Phys Chem 12:999\u20131009","journal-title":"Chem Phys Chem"},{"key":"1666_CR40","doi-asserted-by":"crossref","first-page":"1600","DOI":"10.1063\/1.473281","volume":"106","author":"P Fenter","year":"1997","unstructured":"Fenter P, Eberhardt A, Liang KS, Eisenberger P (1997) J Chem Phys 106:1600\u20131608","journal-title":"J Chem Phys"},{"key":"1666_CR41","doi-asserted-by":"crossref","first-page":"2447","DOI":"10.1103\/PhysRevLett.70.2447","volume":"70","author":"P Fenter","year":"1993","unstructured":"Fenter P, Eisenberger P, Liang KS (1993) Phys Rev Lett 70:2447\u20132450","journal-title":"Phys Rev Lett"},{"key":"1666_CR42","doi-asserted-by":"crossref","first-page":"2935","DOI":"10.1021\/jp980049f","volume":"102","author":"T-W Li","year":"1998","unstructured":"Li T-W, Chao I, Tao Y-T (1998) J Phys Chem B 102:2935\u20132946","journal-title":"J Phys Chem B"},{"key":"1666_CR43","doi-asserted-by":"crossref","first-page":"835","DOI":"10.1007\/s11249-004-8091-z","volume":"17","author":"I-H Sung","year":"2004","unstructured":"Sung I-H, Kim D-E (2004) Tribol Lett 17:835\u2013844","journal-title":"Tribol Lett"},{"key":"1666_CR44","doi-asserted-by":"crossref","first-page":"259","DOI":"10.1006\/jcis.2001.7522","volume":"238","author":"M-Y Tsai","year":"2001","unstructured":"Tsai M-Y, Lin J-C (2001) J Colloid Interface Sci 238:259\u2013266","journal-title":"J Colloid Interface Sci"},{"key":"1666_CR45","doi-asserted-by":"crossref","first-page":"5347","DOI":"10.1021\/la991672+","volume":"16","author":"JT Woodward","year":"2000","unstructured":"Woodward JT, Walker ML, Meuse CW, Vanderah DJ, Poirier GE, Plant AL (2000) Langmuir 16:5347\u20135353","journal-title":"Langmuir"},{"key":"1666_CR46","first-page":"49","volume":"38","author":"J Noh","year":"2011","unstructured":"Noh J, Hara M (2011) RIKEN Rev: focused on nanotechnology in RIKEN II 38:49\u201351","journal-title":"RIKEN Rev: focused on nanotechnology in RIKEN II"},{"key":"1666_CR47","doi-asserted-by":"crossref","first-page":"845","DOI":"10.1021\/la970508o","volume":"14","author":"RH Terrill","year":"1998","unstructured":"Terrill RH, Tanzer TA, Bohn PW (1998) Langmuir 14:845\u2013854","journal-title":"Langmuir"},{"key":"1666_CR48","doi-asserted-by":"crossref","first-page":"19286","DOI":"10.1021\/jp907846u","volume":"113","author":"NA Kautz","year":"2009","unstructured":"Kautz NA, Kandel SA (2009) J Phys Chem C 113:19286\u201319291","journal-title":"J Phys Chem C"},{"key":"1666_CR49","doi-asserted-by":"crossref","first-page":"6908","DOI":"10.1021\/ja8011325","volume":"130","author":"NA Kautz","year":"2008","unstructured":"Kautz NA, Kandel SA (2008) J Am Chem Soc 130:6908\u20136909","journal-title":"J Am Chem Soc"},{"key":"1666_CR50","doi-asserted-by":"crossref","first-page":"3466","DOI":"10.1002\/qua.22055","volume":"109","author":"E Torres","year":"2009","unstructured":"Torres E, Biedermann PU, Blumenau AT (2009) Int J Quantum Chem 109:3466\u20133472","journal-title":"Int J Quantum Chem"},{"key":"1666_CR51","doi-asserted-by":"crossref","first-page":"8895","DOI":"10.1021\/jp901842p","volume":"113","author":"J-G Wang","year":"2009","unstructured":"Wang J-G, Selloni A (2009) J Phys Chem C 113:8895\u20138900","journal-title":"J Phys Chem C"},{"key":"1666_CR52","doi-asserted-by":"crossref","first-page":"146103 (1\u20134)","DOI":"10.1103\/PhysRevLett.97.146103","volume":"97","author":"P Maksymovych","year":"2006","unstructured":"Maksymovych P, Sorescu DC, Yates JT (2006) Phys Rev Lett 97:146103 (1\u20134)","journal-title":"Phys Rev Lett"},{"key":"1666_CR53","doi-asserted-by":"crossref","first-page":"919","DOI":"10.1021\/la8026557","volume":"25","author":"DM Rosu","year":"2009","unstructured":"Rosu DM, Jones JC, Hsu JWP, Kavanagh KL, Tsankov D, Schade U, Esser N, Hinrichs K (2009) Langmuir 25:919\u2013923","journal-title":"Langmuir"},{"key":"1666_CR54","doi-asserted-by":"crossref","first-page":"582","DOI":"10.1021\/la0605539","volume":"23","author":"SM Mendoza","year":"2007","unstructured":"Mendoza SM, Arfaoui I, Zanarini S, Paolucci F, Rudolf P (2007) Langmuir 23:582\u2013588","journal-title":"Langmuir"},{"key":"1666_CR55","doi-asserted-by":"crossref","first-page":"820","DOI":"10.1002\/jbm.a.31193","volume":"82","author":"W-H Chuang","year":"2007","unstructured":"Chuang W-H, Lin J-C (2007) J Biomed Mater Res A 82:820\u2013830","journal-title":"J Biomed Mater Res A"},{"key":"1666_CR56","doi-asserted-by":"crossref","first-page":"13969","DOI":"10.1021\/la802244a","volume":"24","author":"P Iqbal","year":"2008","unstructured":"Iqbal P, Critchley K, Attwood D, Tunnicliffe D, Evans SD, Preece JA (2008) Langmuir 24:13969\u201313976","journal-title":"Langmuir"},{"key":"1666_CR57","doi-asserted-by":"crossref","first-page":"10512","DOI":"10.1021\/jp101426h","volume":"114","author":"S-H Lee","year":"2010","unstructured":"Lee S-H, Lin W-C, Kuo C-H, Karakachian M, Lin Y-C, Yu B-Y, Shyue J-J (2010) J Phys Chem C 114:10512\u201310519","journal-title":"J Phys Chem C"},{"key":"1666_CR58","doi-asserted-by":"crossref","first-page":"1250","DOI":"10.1016\/j.ejmech.2008.09.006","volume":"44","author":"AA Fadda","year":"2009","unstructured":"Fadda AA, Abdel-Latif E, El-Mekawy RE (2009) Eur J Med Chem 44:1250\u20131256","journal-title":"Eur J Med Chem"},{"key":"1666_CR59","doi-asserted-by":"crossref","first-page":"1174","DOI":"10.1021\/jp075385n","volume":"112","author":"Y Ge","year":"2008","unstructured":"Ge Y, Whitten JE (2008) J Phys Chem C 112:1174\u20131182","journal-title":"J Phys Chem C"},{"key":"1666_CR60","doi-asserted-by":"crossref","first-page":"19516","DOI":"10.1021\/jp804108q","volume":"112","author":"N S\u00e4ndig","year":"2008","unstructured":"S\u00e4ndig N, Biscarini F, Zerbetto F (2008) J Phys Chem C 112:19516\u201319520","journal-title":"J Phys Chem C"},{"key":"1666_CR61","doi-asserted-by":"crossref","first-page":"973","DOI":"10.1021\/ja803268s","volume":"131","author":"MR Harpham","year":"2009","unstructured":"Harpham MR, S\u00fczer O, Ma C-Q, B\u00e4uerle P, Goodson T III (2009) J Am Chem Soc 131:973\u2013979","journal-title":"J Am Chem Soc"},{"key":"1666_CR62","doi-asserted-by":"crossref","first-page":"882","DOI":"10.1021\/ja808142c","volume":"131","author":"ML Tang","year":"2009","unstructured":"Tang ML, Mannsfeld SCB, Sun Y-S, Becerril HA, Bao Z (2009) J Am Chem Soc 131:882\u2013883","journal-title":"J Am Chem Soc"},{"key":"1666_CR63","doi-asserted-by":"crossref","first-page":"8458","DOI":"10.1021\/la800444m","volume":"24","author":"C Nogues","year":"2008","unstructured":"Nogues C, Lang P, Desbat B, Buffeteau T, Leiserowitz L (2008) Langmuir 24:8458\u20138464","journal-title":"Langmuir"},{"key":"1666_CR64","doi-asserted-by":"crossref","first-page":"3850","DOI":"10.1021\/la0473660","volume":"21","author":"DM Duffy","year":"2005","unstructured":"Duffy DM, Harding JH (2005) Langmuir 21:3850\u20133857","journal-title":"Langmuir"},{"key":"1666_CR65","doi-asserted-by":"crossref","first-page":"14743","DOI":"10.1021\/jp068471g","volume":"111","author":"S Alkis","year":"2007","unstructured":"Alkis S, Jiang P, Wang L-L, Roitberg AE, Cheng H-P, Krause JL (2007) J Phys Chem C 111:14743\u201314752","journal-title":"J Phys Chem C"},{"key":"1666_CR66","doi-asserted-by":"crossref","first-page":"765","DOI":"10.1021\/la960955o","volume":"13","author":"R Bhatia","year":"1997","unstructured":"Bhatia R, Garrison BJ (1997) Langmuir 13:765\u2013769","journal-title":"Langmuir"},{"key":"1666_CR67","doi-asserted-by":"crossref","first-page":"4038","DOI":"10.1021\/la962055d","volume":"13","author":"R Bhatia","year":"1997","unstructured":"Bhatia R, Garrison BJ (1997) Langmuir 13:4038\u20134043","journal-title":"Langmuir"},{"key":"1666_CR68","doi-asserted-by":"crossref","first-page":"12208","DOI":"10.1021\/la7015963","volume":"23","author":"TE Dirama","year":"2007","unstructured":"Dirama TE, Johnson JA (2007) Langmuir 23:12208\u201312216","journal-title":"Langmuir"},{"key":"1666_CR69","doi-asserted-by":"crossref","first-page":"15857","DOI":"10.1021\/jp0746289","volume":"111","author":"PK Ghorai","year":"2007","unstructured":"Ghorai PK, Glotzer SC (2007) J Phys Chem C 111:15857\u201315862","journal-title":"J Phys Chem C"},{"key":"1666_CR70","doi-asserted-by":"crossref","first-page":"188","DOI":"10.1021\/la00013a028","volume":"10","author":"W Mar","year":"1994","unstructured":"Mar W, Klein ML (1994) Langmuir 10:188\u2013196","journal-title":"Langmuir"},{"key":"1666_CR71","doi-asserted-by":"crossref","first-page":"6451","DOI":"10.1016\/j.apsusc.2008.12.074","volume":"255","author":"J Jia","year":"2009","unstructured":"Jia J, Huang YD, Long J, He JM, Zhang HX (2009) App Surf Sci 255:6451\u20136459","journal-title":"App Surf Sci"},{"key":"1666_CR72","doi-asserted-by":"crossref","first-page":"9589","DOI":"10.1021\/la100167b","volume":"26","author":"P Carro","year":"2010","unstructured":"Carro P, Creus AH, Mu\u00f1oz A, Salvarezza RC (2010) Langmuir 26:9589\u20139595","journal-title":"Langmuir"},{"key":"1666_CR73","doi-asserted-by":"crossref","first-page":"13959","DOI":"10.1021\/la901668u","volume":"25","author":"H-H Lee","year":"2009","unstructured":"Lee H-H, Ru\u017eele \u017d, Malysheva L, Onipko A, Gut\u00e9s A, Bj\u00f6refors F, Valiokas R, Liedberg B (2009) Langmuir 25:13959\u201313971","journal-title":"Langmuir"},{"key":"1666_CR74","doi-asserted-by":"crossref","first-page":"15940","DOI":"10.1021\/jp807196u","volume":"112","author":"H Gr\u00f6nbeck","year":"2008","unstructured":"Gr\u00f6nbeck H, H\u00e4kkinen H, Whetten RL (2008) J Phys Chem C 112:15940\u201315942","journal-title":"J Phys Chem C"},{"key":"1666_CR75","doi-asserted-by":"crossref","first-page":"15973","DOI":"10.1021\/jp100278p","volume":"114","author":"H Gr\u00f6nbeck","year":"2010","unstructured":"Gr\u00f6nbeck H (2010) J Phys Chem C 114:15973\u201315978","journal-title":"J Phys Chem C"},{"key":"1666_CR76","doi-asserted-by":"crossref","first-page":"18353","DOI":"10.1021\/jp9052264","volume":"113","author":"J-C Leng","year":"2009","unstructured":"Leng J-C, Lin L-L, Song X-N, Li Z-L, Wang C-K (2009) J Phys Chem C 113:18353\u201318357","journal-title":"J Phys Chem C"},{"key":"1666_CR77","doi-asserted-by":"crossref","first-page":"10838","DOI":"10.1021\/la801439q","volume":"24","author":"C Majumder","year":"2008","unstructured":"Majumder C (2008) Langmuir 24:10838\u201310842","journal-title":"Langmuir"},{"key":"1666_CR78","doi-asserted-by":"crossref","first-page":"1614","DOI":"10.1016\/j.susc.2008.02.038","volume":"602","author":"MC Fletcher","year":"2008","unstructured":"Fletcher MC, Vivoni A, Moore MM, Lui J, Caldwell J, Prokes SM, Glembocki O, Hosten CM (2008) Surf Sci 602:1614\u20131621","journal-title":"Surf Sci"},{"key":"1666_CR79","doi-asserted-by":"crossref","first-page":"10747","DOI":"10.1039\/c0jm02481c","volume":"20","author":"G Rajaraman","year":"2010","unstructured":"Rajaraman G, Caneschi A, Gatteschi D, Totti F (2010) J Mater Chem 20:10747\u201310754","journal-title":"J Mater Chem"},{"key":"1666_CR80","doi-asserted-by":"crossref","first-page":"1198","DOI":"10.1021\/jp076417+","volume":"112","author":"O Alexiadis","year":"2008","unstructured":"Alexiadis O, Daoulas KC, Mavrantzas VG (2008) J Phys Chem B 112:1198\u20131211","journal-title":"J Phys Chem B"},{"key":"1666_CR81","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1016\/j.theochem.2009.11.021","volume":"946","author":"B Szefczyk","year":"2010","unstructured":"Szefczyk B, Franco R, Gomes JANF, Cordeiro MNDS (2010) J Mol Struct: Theochem 946:83\u201387","journal-title":"J Mol Struct: Theochem"},{"key":"1666_CR82","doi-asserted-by":"crossref","first-page":"5351","DOI":"10.1021\/jp0662146","volume":"111","author":"JM Campi\u00f1a","year":"2007","unstructured":"Campi\u00f1a JM, Martins A, Silva F (2007) J Phys Chem C 111:5351\u20135362","journal-title":"J Phys Chem C"},{"key":"1666_CR83","doi-asserted-by":"crossref","first-page":"2042","DOI":"10.1021\/la7031994","volume":"24","author":"N Battaglini","year":"2008","unstructured":"Battaglini N, Repain V, Lang P, Horowitz G, Rousset S (2008) Langmuir 24:2042\u20132050","journal-title":"Langmuir"},{"key":"1666_CR84","doi-asserted-by":"crossref","first-page":"773","DOI":"10.1021\/la0109819","volume":"18","author":"M Epple","year":"2002","unstructured":"Epple M, Bittner AM, Kuhnke K, Kern K, Zheng W-Q, Tadjeddine A (2002) Langmuir 18:773\u2013784","journal-title":"Langmuir"},{"key":"1666_CR85","doi-asserted-by":"crossref","first-page":"558","DOI":"10.1103\/PhysRevB.47.558","volume":"47","author":"G Kresse","year":"1993","unstructured":"Kresse G, Hafner J (1993) Phys Rev B 47:558\u2013561","journal-title":"Phys Rev B"},{"key":"1666_CR86","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1016\/0927-0256(96)00008-0","volume":"6","author":"G Kresse","year":"1996","unstructured":"Kresse G, Furthm\u00fcller J (1996) Comput Mater Sci 6:15\u201350","journal-title":"Comput Mater Sci"},{"key":"1666_CR87","doi-asserted-by":"crossref","first-page":"11169","DOI":"10.1103\/PhysRevB.54.11169","volume":"54","author":"G Kresse","year":"1996","unstructured":"Kresse G, Furthm\u00fcller J (1996) Phys Rev B 54:11169\u201311186","journal-title":"Phys Rev B"},{"key":"1666_CR88","doi-asserted-by":"crossref","first-page":"3865","DOI":"10.1103\/PhysRevLett.77.3865","volume":"67","author":"JP Perdew","year":"1996","unstructured":"Perdew JP, Burke K, Ernzerhof M (1996) Phys Rev Lett 67:3865\u20133868","journal-title":"Phys Rev Lett"},{"key":"1666_CR89","doi-asserted-by":"crossref","first-page":"1787","DOI":"10.1002\/jcc.20495","volume":"27","author":"S Grimme","year":"2006","unstructured":"Grimme S (2006) J Comput Chem 27:1787\u20131799","journal-title":"J Comput Chem"},{"key":"1666_CR90","doi-asserted-by":"crossref","first-page":"073005","DOI":"10.1103\/PhysRevLett.102.073005","volume":"102","author":"A Tkatchenko","year":"2009","unstructured":"Tkatchenko A, Scheffler M (2009) Phys Rev Lett 102:073005","journal-title":"Phys Rev Lett"},{"key":"1666_CR91","first-page":"022201","volume":"22","author":"J Klime\u0161","year":"2010","unstructured":"Klime\u0161 J, Bowler DR, Michaelides A (2010) J Phys: Cond Matt 22:022201","journal-title":"J Phys: Cond Matt"},{"key":"1666_CR92","doi-asserted-by":"crossref","first-page":"327839","DOI":"10.1155\/2013\/327839","volume":"2013","author":"MP Andersson","year":"2013","unstructured":"Andersson MP (2013) J Theor Chem 2013:327839","journal-title":"J Theor Chem"},{"key":"1666_CR93","doi-asserted-by":"crossref","first-page":"13085","DOI":"10.1039\/c3ra40713f","volume":"3","author":"JP Prates Ramalho","year":"2013","unstructured":"Prates Ramalho JP, Gomes JRB, Illas F (2013) RSC Adv 3:13085\u201313100","journal-title":"RSC Adv"},{"key":"1666_CR94","doi-asserted-by":"crossref","first-page":"17953","DOI":"10.1103\/PhysRevB.50.17953","volume":"50","author":"PE Bl\u00f6chl","year":"1994","unstructured":"Bl\u00f6chl PE (1994) Phys Rev B 50:17953\u201317979","journal-title":"Phys Rev B"},{"key":"1666_CR95","doi-asserted-by":"crossref","first-page":"1758","DOI":"10.1103\/PhysRevB.59.1758","volume":"59","author":"G Kresse","year":"1999","unstructured":"Kresse G, Joubert D (1999) Phys Rev B 59:1758\u20131775","journal-title":"Phys Rev B"},{"key":"1666_CR96","doi-asserted-by":"crossref","first-page":"8403","DOI":"10.1039\/C1CC12166A","volume":"47","author":"JLC Faj\u00edn","year":"2011","unstructured":"Faj\u00edn JLC, Cordeiro MNDS, Gomes JRB (2011) Chem Comm 47:8403\u20138405","journal-title":"Chem Comm"},{"key":"1666_CR97","doi-asserted-by":"crossref","first-page":"8856","DOI":"10.1021\/la401057f","volume":"29","author":"JLC Faj\u00edn","year":"2013","unstructured":"Faj\u00edn JLC, Gomes JRB, Cordeiro MNDS (2013) Langmuir 29:8856\u20138864","journal-title":"Langmuir"},{"key":"1666_CR98","doi-asserted-by":"crossref","first-page":"17311","DOI":"10.1021\/jp073796y","volume":"111","author":"JLC Faj\u00edn","year":"2007","unstructured":"Faj\u00edn JLC, Cordeiro MNDS, Gomes JRB (2007) J Phys Chem C 111:17311\u201317321","journal-title":"J Phys Chem C"},{"key":"1666_CR99","doi-asserted-by":"crossref","first-page":"3138","DOI":"10.1021\/la0357256","volume":"20","author":"B Rai","year":"2004","unstructured":"Rai B, Sathish P, Malhotra CP, Pradip, Ayappa KG (2004) Langmuir 20:3138\u20133144","journal-title":"Langmuir"},{"key":"1666_CR100","doi-asserted-by":"crossref","first-page":"204","DOI":"10.1002\/jcc.23484","volume":"35","author":"E Fertitta","year":"2014","unstructured":"Fertitta E, Voloshina E, Paulus B (2014) J Comput Chem 35:204\u2013213","journal-title":"J Comput Chem"}],"container-title":["Theoretical Chemistry Accounts"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s00214-015-1666-y.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s00214-015-1666-y\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s00214-015-1666-y","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,8,24]],"date-time":"2019-08-24T08:50:28Z","timestamp":1566636628000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s00214-015-1666-y"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2015,5]]},"references-count":100,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2015,5]]}},"alternative-id":["1666"],"URL":"https:\/\/doi.org\/10.1007\/s00214-015-1666-y","relation":{},"ISSN":["1432-881X","1432-2234"],"issn-type":[{"value":"1432-881X","type":"print"},{"value":"1432-2234","type":"electronic"}],"subject":[],"published":{"date-parts":[[2015,5]]},"article-number":"67"}}