{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,15]],"date-time":"2025-10-15T09:58:31Z","timestamp":1760522311901},"reference-count":20,"publisher":"Wiley","issue":"11","license":[{"start":{"date-parts":[[2004,9,7]],"date-time":"2004-09-07T00:00:00Z","timestamp":1094515200000},"content-version":"vor","delay-in-days":3233,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Chem"],"published-print":{"date-parts":[[1995,11]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Molecular dynamics simulations of extended simple point charge (SPC\/E) water have been performed to study the effects of the truncation of long\u2010range interactions on some calculated bulk properties of the liquid. The mean potential calculated in liquid water is sensitive to the choice of the cutoff center in the water molecule. The pair distribution function is also dependent on this choice, although not as strongly as the mean potential. An analysis is carried out to understand the origin of these effects. A common cutoff center is at the oxygen atom in the water molecule, but our study shows that this choice does not yield a mean potential value consistent with a more accurate estimate when no cutoff is applied. \u00a9 1995 John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540161111","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T01:07:15Z","timestamp":1104628035000},"page":"1428-1433","source":"Crossref","is-referenced-by-count":10,"title":["Effects of the cutoff center on the mean potential and pair distribution functions in liquid water"],"prefix":"10.1002","volume":"16","author":[{"given":"Razif R.","family":"Gabdoulline","sequence":"first","affiliation":[]},{"given":"Chong","family":"Zheng","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","doi-asserted-by":"publisher","DOI":"10.1021\/cr00101a005"},{"key":"e_1_2_1_3_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100194a059"},{"key":"e_1_2_1_4_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100360a031"},{"key":"e_1_2_1_5_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100373a078"},{"key":"e_1_2_1_6_2","volume-title":"Computer Simulations of Liquids","author":"Allen M. P.","year":"1987"},{"key":"e_1_2_1_7_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.199009921"},{"key":"e_1_2_1_8_2","doi-asserted-by":"crossref","first-page":"5897","DOI":"10.1063\/1.449621","volume":"86","author":"Brooks C. L.","year":"1985","journal-title":"J. Chem. Phys."},{"key":"e_1_2_1_9_2","doi-asserted-by":"crossref","first-page":"278","DOI":"10.1002\/jcc.540140304","volume":"14","author":"Tasaki K.","year":"1992","journal-title":"J. Comp. Chem."},{"key":"e_1_2_1_10_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.446373"},{"key":"e_1_2_1_11_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100308a038"},{"key":"e_1_2_1_12_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.455539"},{"key":"e_1_2_1_13_2","volume-title":"Electrodynamics of Continuous Media","author":"Landau L. D.","year":"1960"},{"key":"e_1_2_1_14_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.80.14.4315"},{"key":"e_1_2_1_15_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.456536"},{"key":"e_1_2_1_16_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.457481"},{"key":"e_1_2_1_17_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.453919"},{"key":"e_1_2_1_18_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.464310"},{"key":"e_1_2_1_19_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100180a010"},{"key":"e_1_2_1_20_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"e_1_2_1_21_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.453923"}],"container-title":["Journal of Computational Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fjcc.540161111","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/jcc.540161111","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,10,25]],"date-time":"2023-10-25T20:27:50Z","timestamp":1698265670000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/jcc.540161111"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1995,11]]},"references-count":20,"journal-issue":{"issue":"11","published-print":{"date-parts":[[1995,11]]}},"alternative-id":["10.1002\/jcc.540161111"],"URL":"https:\/\/doi.org\/10.1002\/jcc.540161111","archive":["Portico"],"relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[1995,11]]}}}