{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,22]],"date-time":"2025-10-22T20:51:52Z","timestamp":1761166312424,"version":"build-2065373602"},"reference-count":31,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2014,6,1]],"date-time":"2014-06-01T00:00:00Z","timestamp":1401580800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2014,6,1]],"date-time":"2014-06-01T00:00:00Z","timestamp":1401580800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Journal of Molecular Graphics and Modelling"],"published-print":{"date-parts":[[2014,6]]},"DOI":"10.1016\/j.jmgm.2014.04.013","type":"journal-article","created":{"date-parts":[[2014,5,6]],"date-time":"2014-05-06T06:17:10Z","timestamp":1399357030000},"page":"128-136","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":16,"special_numbering":"C","title":["Quantum chemical characterization of zwitterionic structures: Supramolecular complexes for modifying the wettability of oil\u2013water\u2013limestone system"],"prefix":"10.1016","volume":"51","author":[{"given":"Ernesto","family":"Lopez-Chavez","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alberto","family":"Garcia-Quiroz","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Gerardo","family":"Gonzalez-Garcia","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Gabriela E.","family":"Orozco-Duran","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Luis S.","family":"Zamudio-Rivera","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jos\u00e9 M.","family":"Martinez-Magadan","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Eduardo","family":"Buenrostro-Gonzalez","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Raul","family":"Hernandez-Altamirano","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"year":"2010","series-title":"Enhanced Oil Recovery: Field Planning and Development Strategies","author":"Alvarado","key":"10.1016\/j.jmgm.2014.04.013_bib0005"},{"year":"1989","series-title":"Enhanced Oil Recovery","author":"Lake","key":"10.1016\/j.jmgm.2014.04.013_bib0010"},{"year":"2006","series-title":"Anion Receptor Chemistry","author":"Sessler","key":"10.1016\/j.jmgm.2014.04.013_bib0015"},{"key":"10.1016\/j.jmgm.2014.04.013_bib0020","doi-asserted-by":"crossref","first-page":"5847","DOI":"10.1021\/ja0156082","article-title":"Selective recognition of an alkalihalide contact ion-pair","volume":"123","author":"Mahoney","year":"2001","journal-title":"J. Am. Chem. Soc."},{"year":"2001","series-title":"Integrated Reservoir Management","author":"Cosentino","key":"10.1016\/j.jmgm.2014.04.013_bib0025"},{"year":"2011","series-title":"Modern Chemical Enhanced Oil Recovery: Theory and Practice","author":"Sheng","key":"10.1016\/j.jmgm.2014.04.013_bib0030"},{"key":"10.1016\/j.jmgm.2014.04.013_bib0035","unstructured":"L.S. Zamudio-Rivera, US Patent 947, MX\/E\/2010\/070416 (2010)."},{"key":"10.1016\/j.jmgm.2014.04.013_bib0040","unstructured":"L.S. Zamudio-Rivera, US Patent, US\/2011\/0138683A1 (2011)."},{"key":"10.1016\/j.jmgm.2014.04.013_bib0045","unstructured":"http:\/\/www.uspto.gov\/patents\/index.jsp."},{"key":"10.1016\/j.jmgm.2014.04.013_bib0050","first-page":"3","article-title":"Zwitterionic macrocyclic metal sulfate extractants containing 3-dialkylaminomethylsalicylaldimine units","volume":"31","author":"Plieger","year":"2004","journal-title":"Dalton Trans."},{"key":"10.1016\/j.jmgm.2014.04.013_bib0055","doi-asserted-by":"crossref","first-page":"5161","DOI":"10.1021\/jo00376a021","article-title":"Tetazac \u2013 a novel artificial receptor for binding omega-amino carboxylates","volume":"51","author":"Schmidtchen","year":"1986","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.jmgm.2014.04.013_bib0060","doi-asserted-by":"crossref","first-page":"1119","DOI":"10.1039\/CC9960001119","article-title":"Sapphryin\u2013lasalocid conjugate: a novel carrier for aromatic amino acid transport","author":"Sessler","year":"1996","journal-title":"Chem. Commun."},{"key":"10.1016\/j.jmgm.2014.04.013_bib0065","doi-asserted-by":"crossref","first-page":"403","DOI":"10.1021\/ol0476772","article-title":"Binding of amino acids into a novel multiresponsive ferrocene receptor having an one backbone","volume":"7","author":"Debroy","year":"2005","journal-title":"Org. Lett."},{"key":"10.1016\/j.jmgm.2014.04.013_bib0070","doi-asserted-by":"crossref","first-page":"743","DOI":"10.1023\/A:1015963128124","article-title":"Ion-pair transport across membranes","volume":"6","author":"Neubert","year":"1989","journal-title":"Pharm. Res."},{"key":"10.1016\/j.jmgm.2014.04.013_bib0075","doi-asserted-by":"crossref","first-page":"10957","DOI":"10.1063\/1.1810134","volume":"121","author":"Mazziotti","year":"2004","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.jmgm.2014.04.013_bib0080","doi-asserted-by":"crossref","first-page":"403","DOI":"10.1016\/0010-8545(90)85016-L","article-title":"Hard and soft acids and bases \u2013 the evolution of a chemical concept","volume":"100","author":"Pearson","year":"1990","journal-title":"Coord. Chem. Rev."},{"key":"10.1016\/j.jmgm.2014.04.013_bib0085","doi-asserted-by":"crossref","first-page":"1854","DOI":"10.1021\/ja00005a072","article-title":"Principle of maximum hardness","volume":"113","author":"Parr","year":"1991","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.jmgm.2014.04.013_bib0090","doi-asserted-by":"crossref","first-page":"16126","DOI":"10.1021\/jp961096f","article-title":"Popular electronic structure principles in a dynamical context","volume":"100","author":"Chattaraj","year":"1996","journal-title":"J. Phys. Chem."},{"key":"10.1016\/j.jmgm.2014.04.013_bib0095","doi-asserted-by":"crossref","first-page":"4973","DOI":"10.1021\/jp034707u","article-title":"Philicity: a unified treatment of chemical reactivity and selectivity","volume":"107","author":"Chattaraj","year":"2003","journal-title":"J. Phys. Chem. A: Commun."},{"key":"10.1016\/j.jmgm.2014.04.013_bib0100","series-title":"Computational Medicinal Chemistry and Drug Discovery","first-page":"295","article-title":"Reactivity descriptors","author":"Chattaraj","year":"2003"},{"key":"10.1016\/j.jmgm.2014.04.013_bib0105","first-page":"798","article-title":"Toxicity analysis of benzidine through chemical reactivity and selectivity profiles: a DFT approach","volume":"2","author":"Parthasarathi","year":"2003","journal-title":"Int. Electron. J. Mol. Des."},{"key":"10.1016\/j.jmgm.2014.04.013_bib0110","doi-asserted-by":"crossref","first-page":"722","DOI":"10.1063\/1.1700523","article-title":"A molecular orbital theory of reactivity in aromatic hydrocarbons","volume":"20","author":"Fukui","year":"1952","journal-title":"J. Chem. Phys."},{"issue":"10","key":"10.1016\/j.jmgm.2014.04.013_bib0115","doi-asserted-by":"crossref","first-page":"4349","DOI":"10.1063\/1.1542875","article-title":"Negative Fukui functions: new insights based on electronegativity equalization","volume":"118","author":"Bultinck","year":"2003","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.jmgm.2014.04.013_bib0120","unstructured":"Material Studio v6.0.0, Accelrys, Inc., 10188 Telesis Court, Suite 100, San Diego, CA 92121, USA (www.accelrys.com), copyright (c) 2011."},{"key":"10.1016\/j.jmgm.2014.04.013_bib0125","doi-asserted-by":"crossref","first-page":"6671","DOI":"10.1103\/PhysRevB.46.6671","article-title":"Atoms, molecules, solids, and surfaces: applications of the generalized gradient approximation for exchange and correlation","volume":"46","author":"Perdew","year":"1992","journal-title":"Phys. Rev. B"},{"key":"10.1016\/j.jmgm.2014.04.013_bib0130","doi-asserted-by":"crossref","first-page":"1396","DOI":"10.1103\/PhysRevLett.78.1396","article-title":"Generalized gradient approximation mode simple","volume":"78","author":"Perdew","year":"1997","journal-title":"Phys. Rev. Lett."},{"year":"1989","series-title":"Density Functional Theory of Atoms and Molecules","author":"Parr","key":"10.1016\/j.jmgm.2014.04.013_bib0135"},{"key":"10.1016\/j.jmgm.2014.04.013_bib0140","doi-asserted-by":"crossref","first-page":"129","DOI":"10.1007\/BF00549096","article-title":"Bonded-atom fragments for describing molecular charge densities","volume":"44","author":"Hirshfeld","year":"1997","journal-title":"Theor. Chim. Acta"},{"key":"10.1016\/j.jmgm.2014.04.013_bib0145","first-page":"73","article-title":"Zwitterionic liquid\/acid mixtures as anhydrous proton conductivity systems","volume":"24","author":"Yoshizawa","year":"2004","journal-title":"Electrochem. Soc. Proc."},{"year":"1985","series-title":"Handbook of Chemistry and Physics","author":"Weast","key":"10.1016\/j.jmgm.2014.04.013_bib0150"},{"key":"10.1016\/j.jmgm.2014.04.013_bib0155","doi-asserted-by":"crossref","DOI":"10.1039\/9781847550620","article-title":"Container Molecules and Their Guests","author":"Cram","year":"1997"}],"container-title":["Journal of Molecular Graphics and Modelling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1093326314000588?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1093326314000588?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,21]],"date-time":"2025-10-21T20:49:10Z","timestamp":1761079750000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1093326314000588"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2014,6]]},"references-count":31,"alternative-id":["S1093326314000588"],"URL":"https:\/\/doi.org\/10.1016\/j.jmgm.2014.04.013","relation":{},"ISSN":["1093-3263"],"issn-type":[{"type":"print","value":"1093-3263"}],"subject":[],"published":{"date-parts":[[2014,6]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Quantum chemical characterization of zwitterionic structures: Supramolecular complexes for modifying the wettability of oil\u2013water\u2013limestone system","name":"articletitle","label":"Article Title"},{"value":"Journal of Molecular Graphics and Modelling","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.jmgm.2014.04.013","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"Copyright \u00a9 2014 Elsevier Inc. All rights reserved.","name":"copyright","label":"Copyright"}]}}