{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,26]],"date-time":"2026-03-26T19:49:55Z","timestamp":1774554595912,"version":"3.50.1"},"reference-count":45,"publisher":"Elsevier BV","issue":"3","license":[{"start":{"date-parts":[[1995,9,1]],"date-time":"1995-09-01T00:00:00Z","timestamp":809913600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Computers & Chemistry"],"published-print":{"date-parts":[[1995,9]]},"DOI":"10.1016\/0097-8485(95)00020-s","type":"journal-article","created":{"date-parts":[[2002,7,26]],"date-time":"2002-07-26T02:58:12Z","timestamp":1027652292000},"page":"145-154","source":"Crossref","is-referenced-by-count":7,"title":["Applications of the adiabatic connection method to conformational equilibria and reactions involving formic acid"],"prefix":"10.1016","volume":"19","author":[{"given":"Jan W.","family":"Andzelm","sequence":"first","affiliation":[]},{"given":"Dzung T.","family":"Nguyen","sequence":"additional","affiliation":[]},{"given":"Rolf","family":"Eggenberger","sequence":"additional","affiliation":[]},{"given":"Dennis R.","family":"Salahub","sequence":"additional","affiliation":[]},{"given":"Arnold T.","family":"Hagler","sequence":"additional","affiliation":[]}],"member":"78","reference":[{"key":"10.1016\/0097-8485(95)00020-S_BIB1_1","series-title":"Turbomole v2.3","author":"Ahlrichs","year":"1993"},{"key":"10.1016\/0097-8485(95)00020-S_BIB1_2","doi-asserted-by":"crossref","first-page":"165","DOI":"10.1016\/0009-2614(89)85118-8","volume":"162","author":"Ahlrichs","year":"1989","journal-title":"Chem. Phys. Lett."},{"key":"10.1016\/0097-8485(95)00020-S_BIB2","series-title":"30 years of DFT. Conference","author":"Andzelm","year":"1995"},{"key":"10.1016\/0097-8485(95)00020-S_BIB3","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1002\/prot.340090307","volume":"9","author":"Bajorath","year":"1991","journal-title":"Proteins"},{"key":"10.1016\/0097-8485(95)00020-S_BIB4","first-page":"6423","volume":"88","author":"Bajorath","year":"1991"},{"key":"10.1016\/0097-8485(95)00020-S_BIB5","doi-asserted-by":"crossref","first-page":"263","DOI":"10.1002\/prot.340110405","volume":"11","author":"Bajorath","year":"1991","journal-title":"Proteins"},{"key":"10.1016\/0097-8485(95)00020-S_BIB6","doi-asserted-by":"crossref","first-page":"385","DOI":"10.1002\/jcc.540070402","volume":"7","author":"Baker","year":"1986","journal-title":"J. Comp. Chem."},{"key":"10.1016\/0097-8485(95)00020-S_BIB7","series-title":"ACS Meeting San Diego Chem. Phys. Lett.","author":"Baker","year":"1995"},{"key":"10.1016\/0097-8485(95)00020-S_BIB8","unstructured":"Baker J., Scheiner A. & Andzelm J. (1995b) The TurboDFT program is available through Biosym Technologies, Inc. (to be published)."},{"key":"10.1016\/0097-8485(95)00020-S_BIB9","doi-asserted-by":"crossref","first-page":"8894","DOI":"10.1063\/1.468081","volume":"101","author":"Baker","year":"1994","journal-title":"J. Chem. Phys."},{"key":"10.1016\/0097-8485(95)00020-S_BIB10","doi-asserted-by":"crossref","first-page":"2786","DOI":"10.1103\/PhysRevA.33.2786","volume":"A33","author":"Becke","year":"1986","journal-title":"Phys. Rev."},{"key":"10.1016\/0097-8485(95)00020-S_BIB11","doi-asserted-by":"crossref","first-page":"3098","DOI":"10.1103\/PhysRevA.38.3098","volume":"A38","author":"Becke","year":"1988","journal-title":"Phys. Rev."},{"key":"10.1016\/0097-8485(95)00020-S_BIB12","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","volume":"98","author":"Becke","year":"1993","journal-title":"J. Chem. Phys."},{"key":"10.1016\/0097-8485(95)00020-S_BIB13","doi-asserted-by":"crossref","first-page":"3553","DOI":"10.1063\/1.1695761","volume":"42","author":"Bermitt","year":"1965","journal-title":"J. Chem. Phys."},{"key":"10.1016\/0097-8485(95)00020-S_BIB14","first-page":"1923","author":"Blake","year":"1971","journal-title":"J. Chem. Soc."},{"key":"10.1016\/0097-8485(95)00020-S_BIB15","first-page":"33","article-title":"Density Functional Methods in Chemistry","author":"Dixon","year":"1991"},{"key":"10.1016\/0097-8485(95)00020-S_BIB16","author":"Ewig","year":"1995","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/0097-8485(95)00020-S_BIB17","doi-asserted-by":"crossref","first-page":"1167","DOI":"10.1063\/1.462204","volume":"96","author":"Francisco","year":"1992","journal-title":"J. Chem. Phys."},{"key":"10.1016\/0097-8485(95)00020-S_BIB18","doi-asserted-by":"crossref","first-page":"60","DOI":"10.1139\/v92-079","volume":"70","author":"Godbout","year":"1992","journal-title":"Can. J. Chem."},{"key":"10.1016\/0097-8485(95)00020-S_BIB19","doi-asserted-by":"crossref","first-page":"1158","DOI":"10.1063\/1.462203","volume":"96","author":"Goddard","year":"1992","journal-title":"J. Chem. Phys."},{"key":"10.1016\/0097-8485(95)00020-S_BIB20","series-title":"Ab initio Molecular Orbital Theory","author":"Hehre","year":"1986"},{"key":"10.1016\/0097-8485(95)00020-S_BIB21","doi-asserted-by":"crossref","first-page":"1113","DOI":"10.1515\/zna-1976-0919","volume":"A31","author":"Hocking","year":"1976","journal-title":"Z. Naturforsch."},{"key":"10.1016\/0097-8485(95)00020-S_BIB22","series-title":"The Nineteenth International Symposium on Combustion","first-page":"89","author":"Hsu","year":"1983"},{"key":"10.1016\/0097-8485(95)00020-S_BIB23","doi-asserted-by":"crossref","first-page":"5612","DOI":"10.1063\/1.464906","volume":"98","author":"Johnson","year":"1993","journal-title":"J. Chem. Phys."},{"key":"10.1016\/0097-8485(95)00020-S_BIB24","series-title":"The Anomeric Effect and Related Stereoelectronic Effects at Oxygen","author":"Kirby","year":"1983"},{"key":"10.1016\/0097-8485(95)00020-S_BIB25","doi-asserted-by":"crossref","first-page":"1133","DOI":"10.1103\/PhysRev.140.A1133","volume":"A140","author":"Kohn","year":"1965","journal-title":"J. Phys. Rev."},{"key":"10.1016\/0097-8485(95)00020-S_BIB26","series-title":"Density Functional Methods in Chemistry","author":"Labanowski","year":"1991"},{"key":"10.1016\/0097-8485(95)00020-S_BIB27","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","volume":"B37","author":"Lee","year":"1988","journal-title":"Phys. Rev."},{"key":"10.1016\/0097-8485(95)00020-S_BIB28","doi-asserted-by":"crossref","first-page":"680","DOI":"10.1063\/1.1743367","volume":"26","author":"Lerner","year":"1957","journal-title":"J. Chem. Phys"},{"key":"10.1016\/0097-8485(95)00020-S_BIB29","doi-asserted-by":"crossref","first-page":"1076","DOI":"10.1063\/1.1730085","volume":"30","author":"Miyazawa","year":"1959","journal-title":"J. Chem. Phys."},{"key":"10.1016\/0097-8485(95)00020-S_BIB30","series-title":"A density functional study of the glycine molecule: comparison with post-Hartree-Fock calculations and experiment","author":"Nguyen","year":"1995"},{"key":"10.1016\/0097-8485(95)00020-S_BIB31","series-title":"Density-Functional Theory of Atoms and Molecules","author":"Parr","year":"1989"},{"key":"10.1016\/0097-8485(95)00020-S_BIB32","article-title":"Electronic Structure of Solids","author":"Perdew","year":"1991"},{"key":"10.1016\/0097-8485(95)00020-S_BIB33","doi-asserted-by":"crossref","first-page":"8822","DOI":"10.1103\/PhysRevB.33.8822","volume":"33","author":"Perdew","year":"1986","journal-title":"Phys. Rev. B"},{"key":"10.1016\/0097-8485(95)00020-S_BIB34","doi-asserted-by":"crossref","first-page":"293","DOI":"10.1016\/S0040-4039(00)74114-1","volume":"33","author":"Pudzianowski","year":"1992","journal-title":"Tetrahedron Lett."},{"key":"10.1016\/0097-8485(95)00020-S_BIB35","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1016\/0022-2852(77)90186-2","volume":"65","author":"Redding","year":"1977","journal-title":"J. Mol. Spectrosc."},{"key":"10.1016\/0097-8485(95)00020-S_BIB36","doi-asserted-by":"crossref","first-page":"1722","DOI":"10.1021\/ja00240a020","volume":"109","author":"Ruelle","year":"1987","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/0097-8485(95)00020-S_BIB37","doi-asserted-by":"crossref","first-page":"4989","DOI":"10.1063\/1.446521","volume":"80","author":"Saito","year":"1984","journal-title":"J. Chem. Phys."},{"key":"10.1016\/0097-8485(95)00020-S_BIB38","doi-asserted-by":"crossref","first-page":"197","DOI":"10.1007\/BF02279790","volume":"5","author":"Samsonov","year":"1976","journal-title":"React. Kinet. Catal. Lett."},{"key":"10.1016\/0097-8485(95)00020-S_BIB39","doi-asserted-by":"crossref","unstructured":"Seifert G. & Kruger K. (1995) (to be published).","DOI":"10.1007\/978-94-015-8539-2_8"},{"key":"10.1016\/0097-8485(95)00020-S_BIB40","doi-asserted-by":"crossref","first-page":"4391","DOI":"10.1021\/ja00037a055","volume":"114","author":"Sim","year":"1992","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/0097-8485(95)00020-S_BIB41","doi-asserted-by":"crossref","first-page":"511","DOI":"10.1002\/qua.560490414","volume":"49","author":"Sosa","year":"1994","journal-title":"Int. J. Quant. Chem."},{"key":"10.1016\/0097-8485(95)00020-S_BIB42","author":"St-Amant","year":"1992"},{"key":"10.1016\/0097-8485(95)00020-S_BIB43","doi-asserted-by":"crossref","first-page":"387","DOI":"10.1016\/0009-2614(90)87064-X","volume":"169","author":"St-Amant","year":"1990","journal-title":"Chem. Phys. Lett."},{"key":"10.1016\/0097-8485(95)00020-S_BIB44","doi-asserted-by":"crossref","first-page":"651","DOI":"10.1021\/cr00005a001","volume":"91","author":"Ziegler","year":"1991","journal-title":"Chem. Rev."}],"container-title":["Computers & Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:009784859500020S?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:009784859500020S?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2020,2,5]],"date-time":"2020-02-05T06:12:24Z","timestamp":1580883144000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/009784859500020S"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1995,9]]},"references-count":45,"journal-issue":{"issue":"3","published-print":{"date-parts":[[1995,9]]}},"alternative-id":["009784859500020S"],"URL":"https:\/\/doi.org\/10.1016\/0097-8485(95)00020-s","relation":{},"ISSN":["0097-8485"],"issn-type":[{"value":"0097-8485","type":"print"}],"subject":[],"published":{"date-parts":[[1995,9]]}}}