{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,20]],"date-time":"2025-10-20T15:47:32Z","timestamp":1760975252813},"reference-count":30,"publisher":"Wiley","issue":"4","license":[{"start":{"date-parts":[[2015,9,1]],"date-time":"2015-09-01T00:00:00Z","timestamp":1441065600000},"content-version":"tdm","delay-in-days":7123,"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":[[1996,3]]},"DOI":"10.1002\/(sici)1096-987x(199603)17:4<396::aid-jcc2>3.0.co;2-p","type":"journal-article","created":{"date-parts":[[2004,10,21]],"date-time":"2004-10-21T09:04:35Z","timestamp":1098349475000},"page":"396-408","source":"Crossref","is-referenced-by-count":12,"title":["Molecular mechanics calculations of conjugated amides and anab initio investigation of acrylamide and its ?-amino derivative: Conformational analysis and rotational barriers"],"prefix":"10.1002","volume":"17","author":[{"given":"Ulf","family":"Berg","sequence":"first","affiliation":[]},{"given":"Nina","family":"Bladh","sequence":"additional","affiliation":[]}],"member":"311","reference":[{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB1.1","doi-asserted-by":"crossref","first-page":"6554","DOI":"10.1021\/ja00412a003","volume":"103","author":"Donkersloot","year":"1981","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB1.2","doi-asserted-by":"crossref","first-page":"941","DOI":"10.1016\/S0040-4020(01)87502-5","volume":"42","author":"de Kok","year":"1986","journal-title":"Tetrahedron"},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB2","doi-asserted-by":"crossref","first-page":"599","DOI":"10.3891\/acta.chem.scand.49-0599","volume":"49","author":"Berg","year":"1995","journal-title":"Acta Chem. Scand."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB3","doi-asserted-by":"crossref","first-page":"657","DOI":"10.1002\/jcc.540130516","volume":"13","author":"Kontoyianni","year":"1992","journal-title":"J. Comp. Chem."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB4","first-page":"243","volume":"10","author":"Hobson","year":"1973","journal-title":"J. Magn. Resonance"},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB5","doi-asserted-by":"crossref","first-page":"4251","DOI":"10.1016\/S0040-4039(00)91163-8","volume":"48","author":"Martin","year":"1975","journal-title":"Tetrahedron Lett."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB6","author":"Hehre","unstructured":"SPARTAN, version 3.0, and Wavefunction, Inc., 18401 Von Karman, Suite 370, Irvine, California 92715."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB7.1","volume-title":"Molecular Mechanics","author":"Burkert","year":"1982","unstructured":"and Molecular Mechanics, American Chemical Society, Washington, DC, 1982;"},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB7.2","unstructured":"MacMimic is available from Instar Software AB, Ideon Research Park, S-223 70 Lund, Sweden."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB8.1","author":"Feigel","year":"1980","unstructured":"(a) J. Chem. Soc., Chem. Commun., 456 (1980);"},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB8.2","doi-asserted-by":"crossref","first-page":"3054","DOI":"10.1021\/j100239a019","volume":"87","author":"Feigel","year":"1983","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB8.3","doi-asserted-by":"crossref","first-page":"2675","DOI":"10.1021\/j150656a049","volume":"88","author":"Ross","year":"1984","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB9","doi-asserted-by":"crossref","first-page":"7535","DOI":"10.1021\/ja00045a029","volume":"114","author":"Duffy","year":"1992","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB10","author":"Tsuzuki","year":"1991","unstructured":"and J. Chem. Soc. Perkin Trans. 2, 1255 (1991)."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB11","doi-asserted-by":"crossref","first-page":"79","DOI":"10.1016\/0022-2860(80)85266-5","volume":"69","author":"Kydd","year":"1980","journal-title":"J. Mol. Struct."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB12","doi-asserted-by":"crossref","first-page":"2125","DOI":"10.1021\/ja00059a005","volume":"115","author":"Almarsson","year":"1993","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB13","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1016\/S0066-4103(08)60227-6","volume":"16","author":"Martin","year":"1985","journal-title":"Annual Reports NMR Spect."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB14","doi-asserted-by":"crossref","first-page":"6118","DOI":"10.1021\/ja00799a050","volume":"95","author":"Noe","year":"1973","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB15","doi-asserted-by":"crossref","first-page":"7458","DOI":"10.1021\/j100082a012","volume":"98","author":"Bain","year":"1994","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB16.1","doi-asserted-by":"crossref","first-page":"2043","DOI":"10.1021\/jo00060a017","volume":"58","author":"Wu","year":"1993","journal-title":"J. Org. Chem."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB16.2","doi-asserted-by":"crossref","first-page":"906","DOI":"10.1021\/ja00237a050","volume":"109","author":"Wu","year":"1987","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB16.3","doi-asserted-by":"crossref","first-page":"4046","DOI":"10.1021\/ja00220a058","volume":"110","author":"Tapia","year":"1988","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB16.4","doi-asserted-by":"crossref","first-page":"666","DOI":"10.1021\/ja00211a002","volume":"110","author":"Andres","year":"1988","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB17","doi-asserted-by":"crossref","first-page":"7282","DOI":"10.1021\/ja00095a035","volume":"116","author":"Stewart","year":"1994","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB18","author":"Drakenberg","year":"1972","unstructured":"Tetrahedron Lett., 1743 (1972)."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB19","doi-asserted-by":"crossref","first-page":"1901","DOI":"10.1021\/j100681a024","volume":"75","author":"Stilbs","year":"1971","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB20","doi-asserted-by":"crossref","first-page":"3591","DOI":"10.1021\/jo00884a024","volume":"41","author":"Davies","year":"1976","journal-title":"J. Org. Chem."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB21.1","author":"Riddel","year":"1973","unstructured":"(a) and J. Chem. Soc. Perkin Trans. 2, 587 (1973);"},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB21.2","doi-asserted-by":"crossref","first-page":"730","DOI":"10.1002\/cber.19751080303","volume":"108","author":"Sattler","year":"1975","journal-title":"Chem. Ber."},{"key":"10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P-BIB22","volume-title":"Ab Initio Molecular Orbital Theory","author":"Hehre","year":"1986","unstructured":"and Ab Initio Molecular Orbital Theory, Wiley, New York, 1986."}],"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(199603)17:4%3C396::AID-JCC2%3E3.0.CO;2-P","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/(SICI)1096-987X(199603)17:4%3C396::AID-JCC2%3E3.0.CO;2-P","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,7,1]],"date-time":"2021-07-01T10:22:54Z","timestamp":1625134974000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1996,3]]},"references-count":30,"journal-issue":{"issue":"4","published-print":{"date-parts":[[1996,3]]}},"URL":"https:\/\/doi.org\/10.1002\/(sici)1096-987x(199603)17:4<396::aid-jcc2>3.0.co;2-p","relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[1996,3]]}}}