{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,26]],"date-time":"2026-03-26T19:52:37Z","timestamp":1774554757971,"version":"3.50.1"},"reference-count":55,"publisher":"Wiley","issue":"11","license":[{"start":{"date-parts":[[2015,9,1]],"date-time":"2015-09-01T00:00:00Z","timestamp":1441065600000},"content-version":"tdm","delay-in-days":5722,"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":[[2000,8]]},"DOI":"10.1002\/1096-987x(200008)21:11<933::aid-jcc3>3.0.co;2-f","type":"journal-article","created":{"date-parts":[[2004,11,14]],"date-time":"2004-11-14T04:41:10Z","timestamp":1100407270000},"page":"933-942","source":"Crossref","is-referenced-by-count":54,"title":["Molecular surfaces from the promolecule: A comparison with Hartree-Fockab initio electron density surfaces"],"prefix":"10.1002","volume":"21","author":[{"given":"Anthony S.","family":"Mitchell","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mark A.","family":"Spackman","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2000]]},"reference":[{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB1","author":"Connolly","year":"1996","unstructured":"In Network Science ( 1996) (http:\/\/www.netsci.org\/Science\/Compchem\/feature14.html)."},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB2","doi-asserted-by":"crossref","first-page":"1247","DOI":"10.1080\/00268978700102951","volume":"62","author":"Gibson","year":"1987","journal-title":"Mol Phys"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB3","doi-asserted-by":"crossref","first-page":"507","DOI":"10.1002\/jcc.540150504","volume":"15","author":"Petitjean","year":"1994","journal-title":"J Comp Chem"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB4","doi-asserted-by":"crossref","first-page":"379","DOI":"10.1016\/0022-2836(71)90324-X","volume":"55","author":"Lee","year":"1971","journal-title":"J Mol Biol"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB5","doi-asserted-by":"crossref","first-page":"151","DOI":"10.1146\/annurev.bb.06.060177.001055","volume":"6","author":"Richards","year":"1977","journal-title":"Annu Rev Biophys Bioeng"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB6","doi-asserted-by":"crossref","first-page":"709","DOI":"10.1126\/science.6879170","volume":"221","author":"Connolly","year":"1983","journal-title":"Science"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB7","doi-asserted-by":"crossref","first-page":"548","DOI":"10.1107\/S0021889883010985","volume":"16","author":"Connolly","year":"1983","journal-title":"J Appl Crystallogr"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB8","doi-asserted-by":"crossref","first-page":"499","DOI":"10.1107\/S0021889885010779","volume":"18","author":"Connolly","year":"1985","journal-title":"J Appl Crystallogr"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB9","doi-asserted-by":"crossref","first-page":"1118","DOI":"10.1021\/ja00291a006","volume":"107","author":"Connolly","year":"1985","journal-title":"J Am Chem Soc"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB10","volume-title":"The Nature of the Chemical Bond","author":"Pauling","year":"1960","unstructured":"The Nature of the Chemical Bond; Cornell University Press: Ithaca, NY, 1960."},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB11","doi-asserted-by":"crossref","first-page":"441","DOI":"10.1021\/j100785a001","volume":"68","author":"Bondi","year":"1964","journal-title":"J Phys Chem"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB12","doi-asserted-by":"crossref","first-page":"5220","DOI":"10.1021\/ja00354a007","volume":"105","author":"Gavezzotti","year":"1983","journal-title":"J Am Chem Soc"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB13","doi-asserted-by":"crossref","first-page":"3341","DOI":"10.1063\/1.1841222","volume":"46","author":"Bader","year":"1967","journal-title":"J Chem Phys"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB14","doi-asserted-by":"crossref","DOI":"10.1093\/oso\/9780198551683.001.0001","volume-title":"Atoms in Molecules?A Quantum Theory","author":"Bader","year":"1990","unstructured":"Atoms in Molecules?A Quantum Theory; Oxford University Press: Oxford, 1990."},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB15","doi-asserted-by":"crossref","first-page":"265","DOI":"10.1002\/9780470125786.ch7","volume-title":"Reviews in Computational Chemistry","author":"Mezey","year":"1990","unstructured":"In Reviews in Computational Chemistry; ; Eds.; VCH: New York, 1990, p. 265."},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB16","volume-title":"Shape in Chemistry: An Introduction to Molecular Shape and Topology","author":"Mezey","year":"1993","unstructured":"Shape in Chemistry: An Introduction to Molecular Shape and Topology; VCH: New York, 1993."},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB17","doi-asserted-by":"crossref","first-page":"2531","DOI":"10.1139\/v94-320","volume":"72","author":"Walker","year":"1994","journal-title":"Can J Chem"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB18","doi-asserted-by":"crossref","first-page":"12022","DOI":"10.1021\/ja00105a050","volume":"116","author":"Walker","year":"1994","journal-title":"J Am Chem Soc"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB19","doi-asserted-by":"crossref","first-page":"141","DOI":"10.1007\/BF01164655","volume":"18","author":"Mezey","year":"1995","journal-title":"J Math Chem"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB20","doi-asserted-by":"crossref","first-page":"203","DOI":"10.1007\/BF01164848","volume":"17","author":"Walker","year":"1995","journal-title":"J Math Chem"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB21","doi-asserted-by":"crossref","first-page":"361","DOI":"10.1080\/014423597230226","volume":"16","author":"Mezey","year":"1997","journal-title":"Int Rev Phys Chem"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB22","doi-asserted-by":"crossref","first-page":"377","DOI":"10.1016\/0076-6879(95)59053-6","volume":"259","author":"Rellick","year":"1995","journal-title":"Methods Enzymol"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB23","doi-asserted-by":"crossref","first-page":"191","DOI":"10.1002\/(SICI)1097-0282(199708)42:2<191::AID-BIP8>3.0.CO;2-I","volume":"42","author":"Rellick","year":"1997","journal-title":"Biopolymers"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB24","volume":"33","author":"Duncan","year":"1993","journal-title":"Biopolymers"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB25","doi-asserted-by":"crossref","first-page":"3503","DOI":"10.1021\/j100011a016","volume":"99","author":"Grant","year":"1995","journal-title":"J Phys Chem"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB26","doi-asserted-by":"crossref","first-page":"341","DOI":"10.1016\/S0263-7855(97)00008-8","volume":"14","author":"Gabdoulline","year":"1996","journal-title":"J Mol Graphics"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB27","doi-asserted-by":"crossref","first-page":"1319","DOI":"10.1080\/00268977400101131","volume":"27","author":"Hirshfeld","year":"1974","journal-title":"Mol Phys"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB28","doi-asserted-by":"crossref","DOI":"10.1093\/oso\/9780195098235.001.0001","volume-title":"X-Ray Charge Densities and Chemical Bonding","author":"Coppens","year":"1997","unstructured":"X-Ray Charge Densities and Chemical Bonding; Oxford University Press: New York, 1997."},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB29","doi-asserted-by":"crossref","first-page":"1167","DOI":"10.1002\/bip.1976.360150612","volume":"15","author":"Hagler","year":"1976","journal-title":"Biopolymers"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB30","first-page":"741","volume":"77","author":"Gibbs","year":"1992","journal-title":"Am Mineral"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB31","doi-asserted-by":"crossref","first-page":"2020","DOI":"10.1021\/j100401a010","volume":"90","author":"Spackman","year":"1986","journal-title":"J Phys Chem"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB32","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1088\/0022-3719\/20\/1\/006","volume":"20","author":"Trefry","year":"1987","journal-title":"J Phys C: Solid State Phys"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB33","doi-asserted-by":"crossref","first-page":"6579","DOI":"10.1063\/1.451440","volume":"85","author":"Spackman","year":"1986","journal-title":"J Chem Phys"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB34","first-page":"1295","volume":"57","author":"Maksic","year":"1984","journal-title":"Croat Chem Acta"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB35","doi-asserted-by":"crossref","first-page":"39","DOI":"10.1016\/0166-1280(88)80047-2","volume":"170","author":"Maksic","year":"1988","journal-title":"J Mol Struct"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB36","doi-asserted-by":"crossref","first-page":"49","DOI":"10.1007\/978-94-009-2853-4_3","volume-title":"Molecules in Physics, Chemistry, and Biology","author":"Maksic","year":"1989","unstructured":"In Molecules in Physics, Chemistry, and Biology; Ed.; Kluwer: Amsterdam, 1989, p. 49."},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB37","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1016\/S0009-2614(97)00100-0","volume":"267","author":"Spackman","year":"1997","journal-title":"Chem Phys Lett"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB38","doi-asserted-by":"crossref","first-page":"2136","DOI":"10.1002\/(SICI)1521-3765(19981102)4:11<2136::AID-CHEM2136>3.0.CO;2-G","volume":"4","author":"McKinnon","year":"1998","journal-title":"Chem Eur J"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB39","doi-asserted-by":"crossref","first-page":"2071","DOI":"10.1039\/a804691c","author":"McKinnon","year":"1998","journal-title":"Chem Commun"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB40","unstructured":"Spartan, version 4.0, Wavefunction Inc.: Irvine, CA."},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB41","doi-asserted-by":"crossref","first-page":"2257","DOI":"10.1063\/1.1677527","volume":"56","author":"Hehre","year":"1972","journal-title":"J Chem Phys"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB42","doi-asserted-by":"crossref","first-page":"213","DOI":"10.1007\/BF00533485","volume":"28","author":"Hariharan","year":"1973","journal-title":"Theor Chim Acta"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB43","unstructured":"Protein Data Bank, Research Collaboratory for Structural Bioinformatics (http:\/\/www.rcsb.org\/pdb\/)."},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB44","unstructured":"WebLab ViewerLite, Molecular Simulations Inc. (http:\/\/www.msi.com)."},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB45","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1016\/S0092-640X(74)80016-1","volume":"14","author":"Clementi","year":"1974","journal-title":"At Data Nucl Data Tables"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB46","doi-asserted-by":"crossref","first-page":"3175","DOI":"10.1063\/1.1696397","volume":"42","author":"Stewart","year":"1965","journal-title":"J Chem Phys"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB47","doi-asserted-by":"crossref","first-page":"2657","DOI":"10.1063\/1.1672392","volume":"51","author":"Hehre","year":"1969","journal-title":"J Chem Phys"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB48","doi-asserted-by":"crossref","first-page":"163","DOI":"10.1145\/37402.37422","volume":"21","author":"Lorenson","year":"1987","journal-title":"Comput Graph"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB49","doi-asserted-by":"crossref","first-page":"246","DOI":"10.1002\/jcc.540140212","volume":"14","author":"Heiden","year":"1993","journal-title":"J Comp Chem"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB50","doi-asserted-by":"crossref","first-page":"1077","DOI":"10.1002\/jcc.540120905","volume":"12","author":"Silla","year":"1991","journal-title":"J Comp Chem"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB51","author":"Connolly","unstructured":"Molecular Surface Package (http:\/\/www.biohedron.com\/msp.html)."},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB52","doi-asserted-by":"crossref","first-page":"385","DOI":"10.1002\/jcc.540160312","volume":"16","author":"Wong","year":"1995","journal-title":"J Comp Chem"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB53","volume-title":"Numerical Recipes: The Art of Scientific Computing","author":"Press","year":"1986","unstructured":"; ; ; Numerical Recipes: The Art of Scientific Computing; Cambridge University Press: Cambridge, UK, 1986."},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB54","doi-asserted-by":"crossref","first-page":"7968","DOI":"10.1021\/ja00260a006","volume":"109","author":"Bader","year":"1987","journal-title":"J Am Chem Soc"},{"key":"10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F-BIB55","doi-asserted-by":"crossref","first-page":"583","DOI":"10.1107\/S0907444998012645","volume":"55","author":"Cruickshank","year":"1999","journal-title":"Acta Crystallogr Sect D"}],"container-title":["Journal of Computational Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2F1096-987X(200008)21:11%3C933::AID-JCC3%3E3.0.CO;2-F","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/1096-987X(200008)21:11%3C933::AID-JCC3%3E3.0.CO;2-F","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,1,15]],"date-time":"2024-01-15T09:39:42Z","timestamp":1705311582000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2000]]},"references-count":55,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2000,8]]}},"URL":"https:\/\/doi.org\/10.1002\/1096-987x(200008)21:11<933::aid-jcc3>3.0.co;2-f","relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2000]]}}}