{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2024,2,7]],"date-time":"2024-02-07T05:21:34Z","timestamp":1707283294603},"reference-count":99,"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":5662,"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":[[2000,3]]},"DOI":"10.1002\/(sici)1096-987x(200003)21:4<257::aid-jcc2>3.0.co;2-f","type":"journal-article","created":{"date-parts":[[2004,11,14]],"date-time":"2004-11-14T04:46:24Z","timestamp":1100407584000},"page":"257-269","source":"Crossref","is-referenced-by-count":10,"title":["Theoretical characterization of intramolecular proton transfer in the ground and the lowest-lying triplet excited states of 1-amino-3-propenal: a methodological comparison"],"prefix":"10.1002","volume":"21","author":[{"given":"Marta","family":"For\ufffds","sequence":"first","affiliation":[]},{"given":"Miquel","family":"Duran","sequence":"additional","affiliation":[]},{"given":"Miquel","family":"Sol\ufffd","sequence":"additional","affiliation":[]},{"given":"Ludwik","family":"Adamowicz","sequence":"additional","affiliation":[]}],"member":"311","reference":[{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB1.1","doi-asserted-by":"crossref","first-page":"4596","DOI":"10.1021\/j150664a032","volume":"88","author":"Chou","year":"1984","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB1.2","doi-asserted-by":"crossref","first-page":"2668","DOI":"10.1021\/j100160a010","volume":"95","author":"Parthenopoulos","year":"1991","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB1.3","doi-asserted-by":"crossref","first-page":"375","DOI":"10.1016\/0009-2614(88)85152-2","volume":"151","author":"Macinnis","year":"1988","journal-title":"Chem Phys Lett"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB2","doi-asserted-by":"crossref","first-page":"77","DOI":"10.1016\/0009-2614(88)85052-8","volume":"146","author":"Parthenopoulos","year":"1988","journal-title":"Chem Phys Lett"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB3.1","doi-asserted-by":"crossref","first-page":"155","DOI":"10.1007\/BF00697413","volume":"39","author":"Ernsting","year":"1986","journal-title":"Appl Phys B"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB3.2","doi-asserted-by":"crossref","first-page":"367","DOI":"10.1126\/science.263.5145.367","volume":"263","author":"Liphardt","year":"1994","journal-title":"Science"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB3.3","doi-asserted-by":"crossref","first-page":"91","DOI":"10.1016\/0009-2614(94)00065-4","volume":"219","author":"Douhal","year":"1994","journal-title":"Chem Phys Lett"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB4","doi-asserted-by":"crossref","first-page":"151","DOI":"10.1016\/0009-2614(92)85699-B","volume":"193","author":"Martinez","year":"1992","journal-title":"Chem Phys Lett"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB5","doi-asserted-by":"crossref","first-page":"5716","DOI":"10.1063\/1.1679196","volume":"58","author":"Otterstedt","year":"1973","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB6","first-page":"45","volume":"19","author":"Ormson","year":"1994","journal-title":"Prog React Kinet"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB7","doi-asserted-by":"crossref","first-page":"320","DOI":"10.1021\/j100466a004","volume":"83","author":"Werner","year":"1979","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB8","doi-asserted-by":"crossref","first-page":"724","DOI":"10.1103\/RevModPhys.35.724","volume":"35","author":"L\u00f6wdin","year":"1963","journal-title":"Rev Mod Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB9","doi-asserted-by":"crossref","first-page":"77","DOI":"10.1016\/S0065-2725(08)60349-9","volume":"13","author":"Pullman","year":"1971","journal-title":"Adv Heterocycl Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB10","doi-asserted-by":"crossref","first-page":"477","DOI":"10.1016\/0301-0104(96)00067-5","volume":"207","author":"Douhal","year":"1996","journal-title":"Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB11","doi-asserted-by":"crossref","first-page":"36","DOI":"10.1016\/0009-2614(93)85602-K","volume":"204","author":"Duan","year":"1993","journal-title":"Chem Phys Lett"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB12","doi-asserted-by":"crossref","first-page":"82","DOI":"10.1016\/0009-2614(93)80055-T","volume":"211","author":"Sobolewski","year":"1993","journal-title":"Chem Phys Lett"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB13","doi-asserted-by":"crossref","first-page":"293","DOI":"10.1016\/0009-2614(93)87062-8","volume":"211","author":"Sobolewski","year":"1993","journal-title":"Chem Phys Lett"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB14","doi-asserted-by":"crossref","first-page":"115","DOI":"10.1016\/0301-0104(94)00091-3","volume":"184","author":"Sobolewski","year":"1994","journal-title":"Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB15","doi-asserted-by":"crossref","first-page":"3582","DOI":"10.1021\/j100065a008","volume":"98","author":"Luth","year":"1994","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB16","doi-asserted-by":"crossref","first-page":"7352","DOI":"10.1021\/j100019a019","volume":"99","author":"Luth","year":"1995","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB17","doi-asserted-by":"crossref","first-page":"5445","DOI":"10.1021\/ja964056y","volume":"119","author":"Est\u00e9vez","year":"1997","journal-title":"J Am Chem Soc"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB18","doi-asserted-by":"crossref","first-page":"19789","DOI":"10.1021\/jp962026b","volume":"100","author":"Guallar","year":"1996","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB19","doi-asserted-by":"crossref","first-page":"181","DOI":"10.1016\/S0301-0104(96)00237-6","volume":"213","author":"Sobolewski","year":"1996","journal-title":"Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB20","doi-asserted-by":"crossref","first-page":"67","DOI":"10.1016\/0301-0104(94)00392-N","volume":"193","author":"Sobolewski","year":"1995","journal-title":"Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB21","doi-asserted-by":"crossref","first-page":"94","DOI":"10.1016\/0009-2614(95)00033-Z","volume":"234","author":"Sobolewski","year":"1995","journal-title":"Chem Phys Lett"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB22","doi-asserted-by":"crossref","first-page":"14277","DOI":"10.1021\/j100039a014","volume":"99","author":"Sobolewski","year":"1995","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB23","doi-asserted-by":"crossref","first-page":"5708","DOI":"10.1063\/1.469301","volume":"102","author":"Sobolewski","year":"1995","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB24","doi-asserted-by":"crossref","first-page":"5901","DOI":"10.1021\/jp9713874","volume":"101","author":"Scheiner","year":"1997","journal-title":"J Phys Chem A"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB25","doi-asserted-by":"crossref","first-page":"11007","DOI":"10.1063\/1.472900","volume":"105","author":"Barone","year":"1996","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB26","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/S0301-0104(98)00165-7","volume":"234","author":"For\u00e9s","year":"1998","journal-title":"Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB27","doi-asserted-by":"crossref","first-page":"414","DOI":"10.1016\/S0009-2614(96)01235-3","volume":"263","author":"Hass","year":"1996","journal-title":"Chem Phys Lett"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB28","doi-asserted-by":"crossref","first-page":"4413","DOI":"10.1021\/jp9844765","volume":"103","author":"For\u00e9s","year":"1999","journal-title":"J Phys Chem A"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB29","doi-asserted-by":"crossref","first-page":"465","DOI":"10.1002\/qua.560520218","volume":"52","author":"Kieninger","year":"1994","journal-title":"Int J Quantum Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB30","first-page":"5019","volume":"97","author":"Van Duijneveldt-van de Rijdt","year":"1992","journal-title":"Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB31","doi-asserted-by":"crossref","first-page":"4436","DOI":"10.1021\/j100219a034","volume":"86","author":"Laforgue","year":"1986","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB32","doi-asserted-by":"crossref","first-page":"174","DOI":"10.1021\/ar00114a003","volume":"18","author":"Scheiner","year":"1985","journal-title":"Acc Chem Res"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB33","doi-asserted-by":"crossref","first-page":"9854","DOI":"10.1021\/j100024a029","volume":"99","author":"Rovira","year":"1995","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB34","doi-asserted-by":"crossref","DOI":"10.1093\/oso\/9780195090116.001.0001","volume-title":"Hydrogen Bonding. A Theoretical Perspective","author":"Scheiner","year":"1997","unstructured":"In: ed. Hydrogen Bonding. A Theoretical Perspective; Oxford University Press: New York, 1997."},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB35","doi-asserted-by":"crossref","first-page":"2236","DOI":"10.1063\/1.1676398","volume":"55","author":"Del Bene","year":"1971","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB36","doi-asserted-by":"crossref","first-page":"135","DOI":"10.1021\/j100180a030","volume":"96","author":"Foresman","year":"1992","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB37","doi-asserted-by":"crossref","first-page":"128","DOI":"10.1016\/0009-2614(96)00722-1","volume":"259","author":"Grimme","year":"1996","journal-title":"Chem Phys Lett"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB38","doi-asserted-by":"crossref","first-page":"4160","DOI":"10.1063\/1.469601","volume":"103","author":"Stanton","year":"1995","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB39","doi-asserted-by":"crossref","first-page":"429","DOI":"10.1002\/(SICI)1097-461X(1997)61:3<429::AID-QUA10>3.0.CO;2-4","volume":"61","author":"Barone","year":"1997","journal-title":"Int J Quantum Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB40","doi-asserted-by":"crossref","first-page":"4530","DOI":"10.1063\/1.450026","volume":"84","author":"Schlegel","year":"1986","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB41","doi-asserted-by":"crossref","first-page":"4256","DOI":"10.1063\/1.1727484","volume":"45","author":"Cizek","year":"1966","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB42","doi-asserted-by":"crossref","first-page":"444","DOI":"10.1016\/0009-2614(76)85390-0","volume":"41","author":"Taylor","year":"1976","journal-title":"Chem Phys Lett"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB43","doi-asserted-by":"crossref","first-page":"545","DOI":"10.1002\/qua.560140503","volume":"14","author":"Pople","year":"1978","journal-title":"Int J Quantum Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB44.1","doi-asserted-by":"crossref","first-page":"561","DOI":"10.1002\/qua.560140504","volume":"14","author":"Bartlett","year":"1978","journal-title":"Int J Quantum Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB44.2","doi-asserted-by":"crossref","first-page":"359","DOI":"10.1146\/annurev.pc.32.100181.002043","volume":"32","author":"Bartlett","year":"1981","journal-title":"Ann Rev Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB45","doi-asserted-by":"crossref","first-page":"1910","DOI":"10.1063\/1.443164","volume":"76","author":"Purvis","year":"1982","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB46","doi-asserted-by":"crossref","first-page":"4041","DOI":"10.1063\/1.449067","volume":"83","author":"Urban","year":"1985","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB47","doi-asserted-by":"crossref","first-page":"4607","DOI":"10.1063\/1.448718","volume":"82","author":"Raghavachari","year":"1985","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB48","doi-asserted-by":"crossref","first-page":"5968","DOI":"10.1063\/1.453520","volume":"87","author":"Pople","year":"1987","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB49","doi-asserted-by":"crossref","first-page":"3647","DOI":"10.1063\/1.456696","volume":"90","author":"Wolinski","year":"1989","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB50","doi-asserted-by":"crossref","first-page":"5957","DOI":"10.1063\/1.467312","volume":"101","author":"Chen","year":"1994","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB51","doi-asserted-by":"crossref","first-page":"4225","DOI":"10.1063\/1.448837","volume":"82","author":"Sekino","year":"1985","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB52","doi-asserted-by":"crossref","first-page":"399","DOI":"10.1002\/9780470142943.ch7","volume-title":"Advances in Chemical Physics. Ab initio Methods in Quantum Chemistry. Part 2","author":"Roos","year":"1987","unstructured":"In: ed. Advances in Chemical Physics. Ab initio Methods in Quantum Chemistry. Part 2; Wiley: New York, 1987 399."},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB53","doi-asserted-by":"crossref","first-page":"5483","DOI":"10.1021\/j100377a012","volume":"94","author":"Andersson","year":"1990","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB54","doi-asserted-by":"crossref","first-page":"1218","DOI":"10.1063\/1.462209","volume":"96","author":"Andersson","year":"1992","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB55","volume-title":"Modern Electron Structure Theory","volume":"1","author":"Andersson","year":"1994","unstructured":"; In: ed. Modern Electron Structure Theory; Vol. 1; World Scientific: New York, 1994."},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB56","volume-title":"Density Functional Theory of Atoms and Molecules","author":"Parr","year":"1989","unstructured":"; Density Functional Theory of Atoms and Molecules; Oxford University Press: Oxford, UK, 1989."},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB57","doi-asserted-by":"crossref","first-page":"5612","DOI":"10.1063\/1.464906","volume":"98","author":"Johnson","year":"1993","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB58","volume-title":"Modern Density Functional Theory: A Tool for Chemistry","author":"Seminario","year":"1995","unstructured":"; Modern Density Functional Theory: A Tool for Chemistry; Elsevier: New York, 1995."},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB59","doi-asserted-by":"crossref","first-page":"651","DOI":"10.1021\/cr00005a001","volume":"91","author":"Ziegler","year":"1991","journal-title":"Chem Rev"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB60","doi-asserted-by":"crossref","first-page":"165","DOI":"10.1016\/0009-2614(95)01008-W","volume":"245","author":"Cramer","year":"1995","journal-title":"Chem Phys Lett"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB61","doi-asserted-by":"crossref","first-page":"7281","DOI":"10.1021\/j100019a011","volume":"99","author":"Kasha","year":"1995","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB62","doi-asserted-by":"crossref","first-page":"4256","DOI":"10.1021\/ja954340+","volume":"118","author":"Wood","year":"1996","journal-title":"J Am Chem Soc"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB63.1","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1016\/S0022-2313(96)00033-6","volume":"71","author":"Al-Ansari","year":"1997","journal-title":"J Lumin"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB63.2","doi-asserted-by":"crossref","first-page":"307","DOI":"10.1246\/bcsj.70.307","volume":"70","author":"Das","year":"1997","journal-title":"Bull Chem Soc Jpn"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB63.3","doi-asserted-by":"crossref","first-page":"5398","DOI":"10.1021\/jp9533638","volume":"100","author":"Mosquera","year":"1996","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB64","doi-asserted-by":"crossref","first-page":"19681","DOI":"10.1021\/jp961500a","volume":"100","author":"Roberts","year":"1996","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB65","doi-asserted-by":"crossref","first-page":"536","DOI":"10.1016\/0009-2614(96)00463-0","volume":"256","author":"Yang","year":"1996","journal-title":"Chem Phys Lett"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB66","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","volume":"98","author":"Becke","year":"1993","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB67","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","volume":"37","author":"Lee","year":"1988","journal-title":"Phys Rev B"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB68","doi-asserted-by":"crossref","first-page":"7914","DOI":"10.1021\/jp971582i","volume":"101","author":"Catal\u00e1n","year":"1997","journal-title":"J Phys Chem A"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB69","doi-asserted-by":"crossref","first-page":"15837","DOI":"10.1021\/j100043a023","volume":"99","author":"Novoa","year":"1995","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB70","doi-asserted-by":"crossref","first-page":"4781","DOI":"10.1021\/jp9524688","volume":"100","author":"Pudzianowski","year":"1996","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB71","doi-asserted-by":"crossref","first-page":"10705","DOI":"10.1021\/j100027a005","volume":"99","author":"del Bene","year":"1995","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB73","doi-asserted-by":"crossref","first-page":"479","DOI":"10.1016\/S0009-2614(89)87395-6","volume":"157","author":"Raghavachari","year":"1989","journal-title":"Chem Phys Lett"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB74","doi-asserted-by":"crossref","first-page":"513","DOI":"10.1016\/0009-2614(90)87031-L","volume":"165","author":"Bartlett","year":"1990","journal-title":"Chem Phys Lett"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB75","doi-asserted-by":"crossref","first-page":"3477","DOI":"10.1063\/1.468585","volume":"102","author":"Wang","year":"1995","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB76","doi-asserted-by":"crossref","first-page":"380","DOI":"10.1016\/0009-2614(93)90113-F","volume":"216","author":"Baker","year":"1993","journal-title":"Chem Phys Lett"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB77","doi-asserted-by":"crossref","first-page":"1844","DOI":"10.1021\/j100058a021","volume":"98","author":"Wang","year":"1994","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB78","doi-asserted-by":"crossref","first-page":"8648","DOI":"10.1021\/j100086a011","volume":"98","author":"Adamo","year":"1994","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB79","doi-asserted-by":"crossref","first-page":"1422","DOI":"10.1002\/(SICI)1096-987X(199910)20:13<1422::AID-JCC9>3.0.CO;2-B","volume":"20","author":"For\u00e9s","year":"1999","journal-title":"J Comput Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB80","doi-asserted-by":"crossref","first-page":"4494","DOI":"10.1021\/jp990030s","volume":"103","author":"Sobolewski","year":"1999","journal-title":"J Phys Chem A"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB81","volume-title":"Methods of Electronic Structure Theory","author":"Dunning","year":"1977","unstructured":"; In: ed. Methods of Electronic Structure Theory; Plenum: New York, 1977."},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB82","doi-asserted-by":"crossref","first-page":"294","DOI":"10.1002\/jcc.540040303","volume":"4","author":"Clark","year":"1983","journal-title":"J Comput Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB83","author":"Andersson","year":"1994","unstructured":"; ; ; ; ; ; ; ; ; ; ; ; ; Molcas, Version 3, Lund University, Sweden, 1994."},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB84","author":"Andersson","year":"1997","unstructured":"; ; ; ; ; ; ; ; ; ; ; ; ; ; ; Molcas, Version 4, Lund University, Sweden, 1997."},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB85","author":"Frisch","year":"1995","unstructured":"; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; Gaussian 94, Revision B.2; Gaussian, Inc., Pittsburgh, PA, 1995."},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB86","doi-asserted-by":"crossref","first-page":"36","DOI":"10.1016\/0009-2614(93)85602-K","volume":"204","author":"Duan","year":"1993","journal-title":"Chem Phys Lett"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB87","doi-asserted-by":"crossref","first-page":"4391","DOI":"10.1021\/ja00037a055","volume":"114","author":"Sim","year":"1992","journal-title":"J Am Chem Soc"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB88","doi-asserted-by":"crossref","first-page":"89","DOI":"10.1016\/S0166-1280(97)00060-2","volume":"417","author":"Jursic","year":"1997","journal-title":"J Mol Struct (Theochem)"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB89","doi-asserted-by":"crossref","first-page":"592","DOI":"10.1021\/j100002a022","volume":"99","author":"Zhang","year":"1995","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB91","doi-asserted-by":"crossref","first-page":"6207","DOI":"10.1021\/ja00067a040","volume":"115","author":"Baltan","year":"1993","journal-title":"J Am Chem Soc"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB92","doi-asserted-by":"crossref","first-page":"1235","DOI":"10.1021\/ja9534664","volume":"118","author":"Love","year":"1996","journal-title":"J Am Chem Soc"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB93","doi-asserted-by":"crossref","first-page":"4293","DOI":"10.1021\/j100119a010","volume":"97","author":"Hadad","year":"1993","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F-BIB94","doi-asserted-by":"crossref","first-page":"849","DOI":"10.1063\/1.479371","volume":"111","author":"Kar","year":"1999","journal-title":"J Chem Phys"}],"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(200003)21:4%3C257::AID-JCC2%3E3.0.CO;2-F","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/(SICI)1096-987X(200003)21:4%3C257::AID-JCC2%3E3.0.CO;2-F","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,1,15]],"date-time":"2024-01-15T09:39:37Z","timestamp":1705311577000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/(SICI)1096-987X(200003)21:4<257::AID-JCC2>3.0.CO;2-F"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2000,3]]},"references-count":99,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2000,3]]}},"URL":"https:\/\/doi.org\/10.1002\/(sici)1096-987x(200003)21:4<257::aid-jcc2>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":[[2000,3]]}}}