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The additive character and the charge transfer effects in \u03b1, \u03b2, and \u03b3 have been analyzed in terms of the \u03c3 and \u03c0 molecular orbital contributions, the contribution of the individual \u03c0 molecular orbitals, and the contribution of the highest occupied and the lowest unoccupied molecular orbitals. Within the SOO approach, the reliability of the Two\u2010Level Model has been tested and the influence of the rotation of the nitro group and of the presence of the intramolecular hydrogen bonding in ortho\u2010nitrophenol have been studied. The results show that the present method is a reliable and efficient tool for the prediction of trends in the molecular polarizability and hyperpolarizabilities of large molecules. \u00a9 1995 by John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540160504","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T01:09:09Z","timestamp":1104628149000},"page":"545-562","source":"Crossref","is-referenced-by-count":21,"title":["Uncoupled Hartree\u2013Fock calculations of the polarizability and hyperpolarizabilities of nitrophenols"],"prefix":"10.1002","volume":"16","author":[{"given":"R.","family":"Bursi","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"M.","family":"Lankhorst","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"D.","family":"Feil","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-12-170611-1.50006-1"},{"key":"e_1_2_1_3_2","doi-asserted-by":"publisher","DOI":"10.1017\/CBO9781139167994"},{"key":"e_1_2_1_4_2","doi-asserted-by":"crossref","unstructured":"Chemical Review 1994 94","DOI":"10.1057\/fr.1994.9"},{"key":"e_1_2_1_5_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540110110"},{"key":"e_1_2_1_6_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100170a024"},{"key":"e_1_2_1_7_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.463921"},{"key":"e_1_2_1_8_2","doi-asserted-by":"crossref","first-page":"8601","DOI":"10.1021\/j100175a035","volume":"95","author":"Velders G. 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