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In the case of the Zn complex ( ZnTPP ), the coordination effects with the N3 of 1H-imidazole have been calculated. <\/jats:p>","DOI":"10.1142\/s1088424610002409","type":"journal-article","created":{"date-parts":[[2010,9,29]],"date-time":"2010-09-29T09:54:01Z","timestamp":1285754041000},"page":"630-638","source":"Crossref","is-referenced-by-count":5,"title":["A theoretical study of the conformation of <i>meso<\/i>-tetraphenylporphyrin <font>(TPPH<sub>2<\/sub>)<\/font>, its anions, cations and metal complexes (<font>Mg<\/font><sup>2+<\/sup>, <font>Ca<\/font><sup>2+<\/sup> and <font>Zn<\/font><sup>2+<\/sup>)"],"prefix":"10.1142","volume":"14","author":[{"given":"Ibon","family":"Alkorta","sequence":"first","affiliation":[{"name":"Instituto de Qu\u00edmica M\u00e9dica (CSIC), Juan de la Cierva 3, 28006 Madrid, Spain"}]},{"given":"Jos\u00e9","family":"Elguero","sequence":"additional","affiliation":[{"name":"Instituto de Qu\u00edmica M\u00e9dica (CSIC), Juan de la Cierva 3, 28006 Madrid, Spain"}]},{"given":"Artur M. 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