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While the stability ranking of HgNCN(<jats:sc>I<\/jats:sc>) and HgNCN(<jats:sc>II<\/jats:sc>) thus perfectly matches Pearson's HSAB concept, quantum\u2010chemical stability predictions using common parametrizations of density functional theory appear to be fundamentally flawed. An analysis of the error is attempted on the basis of correlated wave functions for related molecules.<\/jats:p>","DOI":"10.1002\/cphc.200300635","type":"journal-article","created":{"date-parts":[[2003,7,9]],"date-time":"2003-07-09T06:06:02Z","timestamp":1057730762000},"page":"725-731","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":26,"title":["Experimental and Quantum\u2010Chemical Studies on the Thermochemical Stabilities of Mercury Carbodiimide and Mercury Cyanamide"],"prefix":"10.1002","volume":"4","author":[{"given":"Xiaohui","family":"Liu","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Paul","family":"M\u00fcller","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Peter","family":"Kroll","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Richard","family":"Dronskowski","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wolfgang","family":"Wilsmann","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Reinhard","family":"Conradt","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2003,7,7]]},"reference":[{"key":"e_1_2_6_1_2","doi-asserted-by":"publisher","DOI":"10.3891\/acta.chem.scand.16-2263"},{"key":"e_1_2_6_2_2","unstructured":"Most precisely: calcium 1 3\u2010diazatrienide; IUPAC will kindly allow."},{"key":"e_1_2_6_3_2","doi-asserted-by":"publisher","DOI":"10.1039\/dt9780001407"},{"key":"e_1_2_6_4_2","first-page":"194","volume":"7","author":"Harper A.","year":"1989","journal-title":"J. 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