{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,12]],"date-time":"2025-10-12T19:05:29Z","timestamp":1760295929244},"reference-count":77,"publisher":"Wiley","issue":"5","license":[{"start":{"date-parts":[[2015,9,1]],"date-time":"2015-09-01T00:00:00Z","timestamp":1441065600000},"content-version":"tdm","delay-in-days":6713,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Comput. Chem."],"published-print":{"date-parts":[[1997,4,15]]},"DOI":"10.1002\/(sici)1096-987x(19970415)18:5<617::aid-jcc3>3.0.co;2-q","type":"journal-article","created":{"date-parts":[[2002,9,10]],"date-time":"2002-09-10T22:41:36Z","timestamp":1031697696000},"page":"617-628","source":"Crossref","is-referenced-by-count":74,"title":["Importance of Madelung potential in quantum chemical modeling of ionic surfaces"],"prefix":"10.1002","volume":"18","author":[{"given":"Gianfranco","family":"Pacchioni","sequence":"first","affiliation":[]},{"given":"Anna Maria","family":"Ferrari","sequence":"additional","affiliation":[]},{"given":"Antonio M.","family":"M\ufffdrquez","sequence":"additional","affiliation":[]},{"given":"Francesc","family":"Illas","sequence":"additional","affiliation":[]}],"member":"311","reference":[{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB1","doi-asserted-by":"crossref","first-page":"2095","DOI":"10.1021\/cr00031a014","volume":"94","author":"Sauer","year":"1994","journal-title":"Chem. Rev."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB2","doi-asserted-by":"crossref","first-page":"199","DOI":"10.1021\/cr00091a006","volume":"89","author":"Sauer","year":"1989","journal-title":"Chem. Rev."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB3","doi-asserted-by":"crossref","first-page":"281","DOI":"10.1016\/0167-5729(92)90013-2","volume":"15","author":"Colbourn","year":"1992","journal-title":"Surf. Sci. Rep."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB4","series-title":"XSNATO ASI Se","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4684-6021-6_24","volume-title":"Cluster Models for Surface and Bulk Phenomena","volume":"283","author":"Pacchioni","year":"1992","unstructured":"and Eds., Cluster Models for Surface and Bulk Phenomena XSNATO ASI Series B, Vol. 283, Plenum, New York, 1992."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB5","doi-asserted-by":"crossref","first-page":"391","DOI":"10.1016\/0039-6028(84)90549-1","volume":"143","author":"Colbourn","year":"1984","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB6","doi-asserted-by":"crossref","first-page":"3786","DOI":"10.1103\/PhysRevB.41.3786","volume":"41","author":"Huzimura","year":"1990","journal-title":"Phys. Rev. B"},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB7","doi-asserted-by":"crossref","first-page":"344","DOI":"10.1016\/0039-6028(91)90691-K","volume":"255","author":"Pacchioni","year":"1991","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB8","doi-asserted-by":"crossref","first-page":"7401","DOI":"10.1021\/j100172a053","volume":"95","author":"Borve","year":"1991","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB9","doi-asserted-by":"crossref","first-page":"1115","DOI":"10.1002\/qua.560420504","volume":"42","author":"Pacchioni","year":"1992","journal-title":"Int. J. Quant. Chem."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB10","doi-asserted-by":"crossref","first-page":"450","DOI":"10.1016\/0039-6028(92)90818-Q","volume":"275","author":"Pacchioni","year":"1992","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB11","doi-asserted-by":"crossref","first-page":"6281","DOI":"10.1063\/1.462619","volume":"96","author":"Borve","year":"1992","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB12","doi-asserted-by":"crossref","first-page":"473","DOI":"10.1016\/0039-6028(92)90820-V","volume":"275","author":"Str\ufffdmberg","year":"1992","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB13","doi-asserted-by":"crossref","first-page":"267","DOI":"10.1016\/0301-0104(92)87161-2","volume":"168","author":"Neyman","year":"1992","journal-title":"Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB14","doi-asserted-by":"crossref","first-page":"2583","DOI":"10.1063\/1.463098","volume":"97","author":"P\ufffdlchen","year":"1992","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB15","doi-asserted-by":"crossref","first-page":"207","DOI":"10.1016\/0039-6028(93)90869-L","volume":"281","author":"Pacchioni","year":"1993","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB16","doi-asserted-by":"crossref","first-page":"11573","DOI":"10.1103\/PhysRevB.48.11573","volume":"48","author":"Pacchioni","year":"1993","journal-title":"Phys. Rev. B"},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB17","doi-asserted-by":"crossref","first-page":"223","DOI":"10.1016\/0039-6028(93)90266-M","volume":"297","author":"Neyman","year":"1993","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB18","author":"Neyman","year":"1993","unstructured":"and Chem. Phys., 177, (1993)."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB19","doi-asserted-by":"crossref","first-page":"10","DOI":"10.1016\/0009-2614(93)89091-U","volume":"210","author":"Freitag","year":"1993","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB20","doi-asserted-by":"crossref","first-page":"2576","DOI":"10.1103\/PhysRevB.50.2576","volume":"50","author":"Pacchioni","year":"1994","journal-title":"Phys. Rev. B"},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB21","doi-asserted-by":"crossref","first-page":"337","DOI":"10.1016\/0039-6028(94)90137-6","volume":"315","author":"Pacchioni","year":"1994","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB22","doi-asserted-by":"crossref","first-page":"10152","DOI":"10.1021\/ja00101a038","volume":"116","author":"Pacchioni","year":"1994","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB23","doi-asserted-by":"crossref","first-page":"l579","DOI":"10.1016\/0039-6028(94)91354-4","volume":"310","author":"Snis","year":"1994","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB24","doi-asserted-by":"crossref","first-page":"456","DOI":"10.1016\/0009-2614(94)01171-0","volume":"230","author":"Nygren","year":"1994","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB25","doi-asserted-by":"crossref","first-page":"2010","DOI":"10.1063\/1.466553","volume":"100","author":"Nygren","year":"1994","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB26","doi-asserted-by":"crossref","first-page":"232","DOI":"10.1016\/0039-6028(95)00484-X","volume":"336","author":"Nakatsuji","year":"1995","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB27","doi-asserted-by":"crossref","first-page":"59","DOI":"10.1016\/0039-6028(94)00831-0","volume":"327","author":"Mejias","year":"1995","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB28","doi-asserted-by":"crossref","first-page":"123","DOI":"10.1016\/0009-2614(95)01348-2","volume":"249","author":"Sousa","year":"1996","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB29","doi-asserted-by":"crossref","first-page":"546","DOI":"10.1016\/0009-2614(95)01150-X","volume":"246","author":"Neyman","year":"1995","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB30","doi-asserted-by":"crossref","first-page":"4476","DOI":"10.1021\/j100164a056","volume":"95","author":"Ito","year":"1991","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB31","doi-asserted-by":"crossref","first-page":"6871","DOI":"10.1063\/1.463640","volume":"97","author":"Sawabe","year":"1992","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB32","doi-asserted-by":"crossref","first-page":"4819","DOI":"10.1063\/1.467404","volume":"101","author":"Sawabe","year":"1994","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB33","doi-asserted-by":"crossref","first-page":"7095","DOI":"10.1063\/1.468335","volume":"101","author":"Sawabe","year":"1994","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB34","doi-asserted-by":"crossref","first-page":"11582","DOI":"10.1021\/j100095a046","volume":"98","author":"Anchell","year":"1994","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB35","doi-asserted-by":"crossref","first-page":"2561","DOI":"10.1039\/ft9949002561","volume":"90","author":"Yanagisawa","year":"1994","journal-title":"J. Chem. Soc. Faraday Trans."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB36","doi-asserted-by":"crossref","first-page":"5487","DOI":"10.1021\/j100072a015","volume":"98","author":"Kobayashi","year":"1994","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB37","doi-asserted-by":"crossref","first-page":"3704","DOI":"10.1021\/j100011a043","volume":"99","author":"Yanagisawa","year":"1995","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB38","doi-asserted-by":"crossref","first-page":"15018","DOI":"10.1021\/j100041a016","volume":"99","author":"Pelmenschikov","year":"1995","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB39","doi-asserted-by":"crossref","first-page":"551","DOI":"10.1016\/0039-6028(86)90012-9","volume":"175","author":"Caus\ufffd","year":"1986","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB40","doi-asserted-by":"crossref","first-page":"267","DOI":"10.1016\/S0039-6028(87)80048-1","volume":"186","author":"Dovesi","year":"1987","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB41","doi-asserted-by":"crossref","first-page":"2786","DOI":"10.1063\/1.465187","volume":"99","author":"Scamehorn","year":"1993","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB42","doi-asserted-by":"crossref","first-page":"6826","DOI":"10.1063\/1.467042","volume":"100","author":"Birkenheuer","year":"1994","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB43","doi-asserted-by":"crossref","first-page":"504","DOI":"10.1103\/PhysRevLett.73.504","volume":"73","author":"Langel","year":"1994","journal-title":"Phys. Rev. Lett."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB44","doi-asserted-by":"crossref","first-page":"337","DOI":"10.1016\/0039-6028(95)00348-7","volume":"330","author":"Goniakowski","year":"1995","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB45","doi-asserted-by":"crossref","first-page":"353","DOI":"10.1016\/0039-6028(95)00499-8","volume":"336","author":"Nada","year":"1995","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB46","doi-asserted-by":"crossref","first-page":"139","DOI":"10.1016\/0039-6028(94)00766-7","volume":"325","author":"Ferro","year":"1995","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB47","doi-asserted-by":"crossref","first-page":"5375","DOI":"10.1103\/PhysRevB.52.5375","volume":"52","author":"Towler","year":"1995","journal-title":"Phys. Rev. B"},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB48","doi-asserted-by":"crossref","first-page":"10823","DOI":"10.1103\/PhysRevB.52.10823","volume":"52","author":"Refson","year":"1995","journal-title":"Phys. Rev. B"},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB49","doi-asserted-by":"crossref","first-page":"3240","DOI":"10.1063\/1.470256","volume":"103","author":"Langel","year":"1995","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB50","doi-asserted-by":"crossref","first-page":"294","DOI":"10.1021\/jp951694e","volume":"100","author":"Nygren","year":"1996","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB51","series-title":"NATO ASI Seri","doi-asserted-by":"crossref","first-page":"515","DOI":"10.1007\/978-1-4684-6021-6_41","volume-title":"Cluster Models for Surface and Bulk Phenomena","volume":"283","author":"Pisani","year":"1992","unstructured":"and in Cluster Models for Surface and Bulk Phenomena NATO ASI Series B, Vol. 283, and Eds., Plenum, New York, 1992, p. 515."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB52","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/S0368-2048(14)80003-0","volume":"96","author":"Pisani","year":"1994","journal-title":"J. Electron Spectrosc. Relat. Phenom."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB53","doi-asserted-by":"crossref","first-page":"59","DOI":"10.1016\/0301-0104(95)00237-0","volume":"201","author":"Allouche","year":"1995","journal-title":"Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB54","doi-asserted-by":"crossref","first-page":"3800","DOI":"10.1103\/PhysRevB.41.3800","volume":"41","author":"Luana","year":"1990","journal-title":"Phys. Rev. B"},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB55","volume-title":"Gaussian Basis Sets for Molecular Calculations (Physical Science Data","volume":"16","author":"Huzinaga","year":"1984","unstructured":"Ed., Gaussian Basis Sets for Molecular Calculations (Physical Science Data, Vol. 16, Elsevier, Amsterdam, 1984."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB56","volume-title":"Modern Theoretical Chemistry","author":"Dunning","year":"1976","unstructured":"and Modern Theoretical Chemistry, Plenum, New York, 1976."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB57","doi-asserted-by":"crossref","first-page":"4378","DOI":"10.1063\/1.447215","volume":"80","author":"Bagus","year":"1984","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB58","doi-asserted-by":"crossref","first-page":"8962","DOI":"10.1063\/1.462875","volume":"96","author":"Bagus","year":"1992","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB59","author":"van Duijenevled","year":"1971","unstructured":"IBM Res. Rep. No. RJ 945, 1971."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB60","doi-asserted-by":"crossref","first-page":"15172","DOI":"10.1021\/j100041a037","volume":"99","author":"Murphy","year":"1995","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB61","doi-asserted-by":"crossref","first-page":"17010","DOI":"10.1021\/j100046a029","volume":"99","author":"Ferrari","year":"1995","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB62","volume-title":"HONDO 8.5 for CHEM-Station","author":"Dupuis","year":"1994","unstructured":"and HONDO 8.5 for CHEM-Station, IBM Co., Kingston, NY, 1994."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB63","doi-asserted-by":"crossref","first-page":"6026","DOI":"10.1063\/1.447604","volume":"81","author":"Stevens","year":"1984","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB64","doi-asserted-by":"crossref","first-page":"5739","DOI":"10.1063\/1.455549","volume":"89","author":"Barandiaran","year":"1988","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB65","doi-asserted-by":"crossref","first-page":"241","DOI":"10.1002\/(SICI)1097-461X(1996)58:3<241::AID-QUA2>3.0.CO;2-Y","volume":"58","author":"Ferrari","year":"1996","journal-title":"Int. J. Quant. Chem."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB66","volume-title":"The Surface Science of Meal Oxides","author":"Heinrich","year":"1994","unstructured":"and The Surface Science of Meal Oxides, Cambridge University Press, Cambridge, 1994."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB67","doi-asserted-by":"crossref","first-page":"135","DOI":"10.1016\/0039-6028(92)91238-7","volume":"269\/270","author":"Marchese","year":"1992","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB68","doi-asserted-by":"crossref","first-page":"3847","DOI":"10.1063\/1.454860","volume":"89","author":"Lambert","year":"1988","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB69","doi-asserted-by":"crossref","first-page":"559","DOI":"10.1103\/PhysRevLett.58.559","volume":"58","author":"Bagus","year":"1987","journal-title":"Phys. Rev. Lett."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB70","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1016\/S0368-2048(14)80004-2","volume":"69","author":"Pacchioni","year":"1994","journal-title":"J. Electron Spec-trosc. Relat. Phenom."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB71","doi-asserted-by":"crossref","first-page":"9032","DOI":"10.1021\/jp953633m","volume":"100","author":"Ferrari","year":"1996","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB72","doi-asserted-by":"crossref","first-page":"2576","DOI":"10.1103\/PhysRevB.50.2576","volume":"50","author":"Pacchioni","year":"1994","journal-title":"Phys. Rev. B"},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB73","doi-asserted-by":"crossref","first-page":"641","DOI":"10.1016\/0009-2614(92)86008-6","volume":"196","author":"Bagus","year":"1992","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB74.1","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1016\/0039-6028(95)01057-2","volume":"350","author":"Pacchioni","year":"1996","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB74.2","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB75","author":"Bredow","journal-title":"Surf. Sci."},{"key":"10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q-BIB76","doi-asserted-by":"crossref","first-page":"6818","DOI":"10.1063\/1.465825","volume":"99","author":"Sousa","year":"1993","journal-title":"J. Chem. Phys."}],"container-title":["Journal of Computational Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2F(SICI)1096-987X(19970415)18:5%3C617::AID-JCC3%3E3.0.CO;2-Q","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/(SICI)1096-987X(19970415)18:5%3C617::AID-JCC3%3E3.0.CO;2-Q","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,7,1]],"date-time":"2021-07-01T09:48:38Z","timestamp":1625132918000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/(SICI)1096-987X(19970415)18:5<617::AID-JCC3>3.0.CO;2-Q"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1997,4,15]]},"references-count":77,"journal-issue":{"issue":"5","published-print":{"date-parts":[[1997,4,15]]}},"URL":"https:\/\/doi.org\/10.1002\/(sici)1096-987x(19970415)18:5<617::aid-jcc3>3.0.co;2-q","relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[1997,4,15]]}}}