{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,9,10]],"date-time":"2025-09-10T22:02:58Z","timestamp":1757541778940},"reference-count":32,"publisher":"Springer Science and Business Media LLC","issue":"3","license":[{"start":{"date-parts":[[1992,6,1]],"date-time":"1992-06-01T00:00:00Z","timestamp":707356800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Computer-Aided Mol Des"],"published-print":{"date-parts":[[1992,6]]},"DOI":"10.1007\/bf00123381","type":"journal-article","created":{"date-parts":[[2004,10,31]],"date-time":"2004-10-31T04:59:02Z","timestamp":1099198742000},"page":"273-286","source":"Crossref","is-referenced-by-count":11,"title":["Charge calculations in molecular mechanics. IX. A general parameterisation of the scheme for saturated halogen, oxygen and nitrogen compounds"],"prefix":"10.1007","volume":"6","author":[{"given":"Raymond J.","family":"Abraham","sequence":"first","affiliation":[]},{"given":"Guy H.","family":"Grant","sequence":"additional","affiliation":[]}],"member":"297","reference":[{"key":"CR1","first-page":"21","volume":"5","author":"R.J. Abraham","year":"1991","unstructured":"Abraham, R.J., Grant, G.H., Haworth, I.S., and Smith, P.E., J. Comput.-Aided Mol. Design, 5 (1991) 21.","journal-title":"J. Comput.-Aided Mol. Design"},{"key":"CR2","doi-asserted-by":"crossref","first-page":"407","DOI":"10.1002\/jcc.540030316","volume":"3","author":"R.J. Abraham","year":"1982","unstructured":"Abraham, R.J., Griffiths, L. and Loftus, P., J. Comp. Chem, 3 (1982) 407.","journal-title":"J. Comp. Chem"},{"key":"CR3","doi-asserted-by":"crossref","first-page":"562","DOI":"10.1002\/jcc.540050609","volume":"5","author":"R.J. Abraham","year":"1984","unstructured":"Abraham, R.J. and Hudson, B.D., J. Comp. Chem., 5, (1984) 562.","journal-title":"J. Comp. Chem."},{"key":"CR4","doi-asserted-by":"crossref","first-page":"173","DOI":"10.1002\/jcc.540060304","volume":"6","author":"R.J. Abraham","year":"1985","unstructured":"Abraham, R.J. and Hudson, B.D., J. Comp. Chem., 6, (1985) 173.","journal-title":"J. Comp. Chem."},{"key":"CR5","doi-asserted-by":"crossref","first-page":"288","DOI":"10.1002\/jcc.540090403","volume":"9","author":"R.J. Abraham","year":"1988","unstructured":"Abraham, R.J. and Smith, P.E., J. Comp. Chem., 9, (1988) 288.","journal-title":"J. Comp. Chem."},{"key":"CR6","doi-asserted-by":"crossref","first-page":"244","DOI":"10.1002\/jcc.540090308","volume":"9","author":"R.J. Abraham","year":"1988","unstructured":"Abraham, R.J. and Grant, G.H., J. Comp. Chem., 9 (1988) 244.","journal-title":"J. Comp. Chem."},{"key":"CR7","doi-asserted-by":"crossref","first-page":"2639","DOI":"10.1093\/nar\/16.6.2639","volume":"16","author":"R.J. Abraham","year":"1988","unstructured":"Abraham, R.J. and Smith, P.E., Nucleic Acids Res., 16 (1988) 2639.","journal-title":"Nucleic Acids Res."},{"key":"CR8","doi-asserted-by":"crossref","first-page":"175","DOI":"10.1007\/BF01557727","volume":"3","author":"R.J. Abraham","year":"1989","unstructured":"Abraham, R.J. and Smith, P.E., J. Comput.-Aided Mol. Design, 3 (1989) 175.","journal-title":"J. Comput.-Aided Mol. Design"},{"key":"CR9","unstructured":"cf. PIMMS, COBRA, CONSTRICTOR, NEMESIS, Oxford Molecular Ltd., Oxford."},{"key":"CR10","doi-asserted-by":"crossref","first-page":"3219","DOI":"10.1016\/0040-4020(80)80168-2","volume":"36","author":"J. Gasteiger","year":"1980","unstructured":"Gasteiger, J. and Marsili, M., Tetrahedron, 36 (1980) 3219.","journal-title":"Tetrahedron"},{"key":"CR11","doi-asserted-by":"crossref","first-page":"424","DOI":"10.1002\/jcc.540090418","volume":"9","author":"L.G. Hammerstrom","year":"1988","unstructured":"Hammerstrom, L.G., Liljefors, T. and Gasteiger, J. J. Comp. Chem., 9 (1988) 424.","journal-title":"J. Comp. Chem."},{"key":"CR12","volume-title":"The Chemical Bond and Bond Energy","author":"R.T. Sanderson","year":"1971","unstructured":"Sanderson, R.T., The Chemical Bond and Bond Energy, Academic Press, New York, 1971."},{"key":"CR13","doi-asserted-by":"crossref","first-page":"540","DOI":"10.1021\/ja00863a008","volume":"84","author":"J. Hinze","year":"1962","unstructured":"Hinze, J. and Jaffe, H.H., J. Am. Chem. Soc., 84 (1962) 540.","journal-title":"J. Am. Chem. Soc."},{"key":"CR14","doi-asserted-by":"crossref","first-page":"264","DOI":"10.1016\/0022-1902(58)80003-2","volume":"5","author":"A.L. Allred","year":"1958","unstructured":"Allred, A.L. and Rochow, E.G., J. Inorg. Nucl. Chem., 5 (1958) 264.","journal-title":"J. Inorg. Nucl. Chem."},{"key":"CR15","doi-asserted-by":"crossref","first-page":"3547","DOI":"10.1021\/ja01478a001","volume":"83","author":"R.P. Iczkowski","year":"1961","unstructured":"Iczkowski, R.P. and Margrave, J.L., J. Am. Chem. Soc., 83 (1961) 3547.","journal-title":"J. Am. Chem. Soc."},{"key":"CR16","doi-asserted-by":"crossref","first-page":"2127","DOI":"10.1016\/0022-1902(65)80077-X","volume":"27","author":"J.E. Huheey","year":"1965","unstructured":"Huheey, J.E., J. Inorg. Nucl. Chem., 27 (1965), 2127.","journal-title":"J. Inorg. Nucl. Chem."},{"key":"CR17","doi-asserted-by":"crossref","first-page":"4253","DOI":"10.1021\/ja00993a001","volume":"89","author":"J.A. Pople","year":"1967","unstructured":"Pople, J.A. and Gordon, M., J. Am. Chem. Soc., 89 (1967) 4253.","journal-title":"J. Am. Chem. Soc."},{"key":"CR18","doi-asserted-by":"crossref","first-page":"8533","DOI":"10.1021\/ja00179a044","volume":"112","author":"K.J. Miller","year":"1990","unstructured":"Miller, K.J., J. Am. Chem. Soc., 112 (1990) 8533.","journal-title":"J. Am. Chem. Soc."},{"key":"CR19","volume-title":"Tables of Experimental Dipole Moments","author":"A.L. McClellan","year":"1963","unstructured":"McClellan, A.L., Tables of Experimental Dipole Moments, Freeman, London, 1963, Vol. 1; Rahara Enterprises, California, 1974, Vol. 2; 1989, Vol. 3."},{"key":"CR20","volume-title":"Structure Data of Free Atomic Molecules","year":"1976","unstructured":"Hellwege, K.H. (Ed.), Structure Data of Free Atomic Molecules, Landolt Bornstein, Springer, Berlin, 1976."},{"key":"CR21","doi-asserted-by":"crossref","first-page":"465","DOI":"10.1016\/0022-2852(81)90040-0","volume":"89","author":"J.E. Parkin","year":"1981","unstructured":"Parkin, J.E., Buckley, P.J. and Costain, C.C., J. Mol. Spectroscy 89 (1981) 465.","journal-title":"J. Mol. Spectroscy"},{"key":"CR22","doi-asserted-by":"crossref","first-page":"1911","DOI":"10.1063\/1.1712217","volume":"47","author":"H.D. Harmony","year":"1967","unstructured":"Harmony, H.D. and Sandro, M., J. Chem. Phys., 47 (1967) 1911.","journal-title":"J. Chem. Phys."},{"key":"CR23","doi-asserted-by":"crossref","first-page":"434","DOI":"10.1139\/v74-069","volume":"52","author":"S.C. Dass","year":"1974","unstructured":"Dass, S.C. and Kewley, R., Can. J. Chem., 52 (1974) 434.","journal-title":"Can. J. Chem."},{"key":"CR24","doi-asserted-by":"crossref","first-page":"955","DOI":"10.1139\/v72-148","volume":"50","author":"J.J. Sloan","year":"1972","unstructured":"Sloan, J.J. and Kewley, R., Can. J. Chem., 50 (1972) 955.","journal-title":"Can. J. Chem."},{"key":"CR25","doi-asserted-by":"crossref","first-page":"651","DOI":"10.1063\/1.1676133","volume":"55","author":"R.E. Penn","year":"1972","unstructured":"Penn, R.E. and Cure, R.F., J. Chem. Phys., 55 (1972) 651.","journal-title":"J. Chem. Phys."},{"key":"CR26","first-page":"1287","volume":"47","author":"V.M. Rao","year":"1969","unstructured":"Rao, V.M. and Kewley, R., Can. J. Chem., 47 (1969) 1287.","journal-title":"Can. J. Chem."},{"key":"CR27","doi-asserted-by":"crossref","first-page":"157","DOI":"10.1016\/0022-2852(68)90159-8","volume":"26","author":"M. Takano","year":"1968","unstructured":"Takano, M., Sasada, Y and Satok, T., J. Mol. Spectroscy. 26 (1968) 157.","journal-title":"J. Mol. Spectroscy."},{"key":"CR28","doi-asserted-by":"crossref","first-page":"1149","DOI":"10.1139\/v72-182","volume":"50","author":"P. Buckley","year":"1972","unstructured":"Buckley, P. and Brochu, M., Can. J. Chem., 50 (1972) 1149.","journal-title":"Can. J. Chem."},{"key":"CR29","first-page":"133","volume":"35","author":"M.L. Sage","year":"1961","unstructured":"Sage, M.L., J. Chem. Phys., 35 (1961) 133.","journal-title":"J. Chem. Phys."},{"key":"CR30","doi-asserted-by":"crossref","first-page":"133","DOI":"10.1016\/0022-2852(75)90209-X","volume":"56","author":"R.A. Cresswell","year":"1975","unstructured":"Cresswell, R.A., J. Mol. Spectroscy., 56 (1975) 133.","journal-title":"J. Mol. Spectroscy."},{"key":"CR31","doi-asserted-by":"crossref","first-page":"412","DOI":"10.1016\/0022-2852(73)90211-7","volume":"45","author":"W.D. Slafer","year":"1973","unstructured":"Slafer, W.D. and Harris, D.O., J. Mol. Spectroscy., 45 (1973) 412.","journal-title":"J. Mol. Spectroscy."},{"key":"CR32","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-642-68676-4","volume-title":"The Anomeric Effect and Related Stereoelectronic Effects at Oxygen","author":"A.J. Kirby","year":"1983","unstructured":"Kirby, A.J., The Anomeric Effect and Related Stereoelectronic Effects at Oxygen, Springer, Berlin, 1983."}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/BF00123381.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/BF00123381\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/BF00123381","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,4,3]],"date-time":"2019-04-03T05:16:30Z","timestamp":1554268590000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/BF00123381"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1992,6]]},"references-count":32,"journal-issue":{"issue":"3","published-print":{"date-parts":[[1992,6]]}},"alternative-id":["BF00123381"],"URL":"https:\/\/doi.org\/10.1007\/bf00123381","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[1992,6]]}}}