{"product_id":"quantum-chemical-methods-in-main-group-chemistry-hardback-9780471972426","title":"Quantum Chemical Methods in Main-Group Chemistry (Hardback) 9780471972426","description":"\u003cfont face=\"Georgia\"\u003e\r\n\u003cp\u003e\u003cfont size=\"6\"\u003eQuantum Chemical Methods in Main-Group Chemistry\u003c\/font\u003e\u003cbr\u003e\r\n\r\n\r\n\r\n\r\n\r\n\u003c\/p\u003e\n\u003cp\u003e\u003cfont size=\"4\"\u003eThomas M. Klap¿tke (Author), Axel Schulz (Author)\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e9780471972426, Wiley\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003eHardback, published 18 September 1998\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e280 pages\u003cbr\u003e25.2 x 19.8 x 2.2 cm, 0.737 kg\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\r\n\r\n\r\n\r\n\u003cp align=\"justify\"\u003e\u003cstrong\u003e\u003cfont size=\"3\"\u003eQuantenmechanische Methoden werden immer häufiger zur Berechnung und Vorhersage der Eigenschaften von Molekülen und des Ablaufs chemischer Reaktionen eingesetzt. Neben einer übersichtlichen Darstellung der quantenchemischen Grundlagen diskutiert dieses Buch Anwendungen im Bereich der Hauptgruppenchemie. Ein dritter Teil beschäftigt sich ausführlich mit bindungstheoretischen Aspekten, insbesondere der sogenannten Increased-Valence Theory. (8\/98)\u003cbr\u003e\u003c\/font\u003e\u003c\/strong\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003eTHEORETICAL BACKGROUND OF AB INITIO CALCULATIONS.\u003cbr\u003e \u003cbr\u003e Quantum Mechanical Basics.\u003cbr\u003e \u003cbr\u003e SCF Calculations.\u003cbr\u003e \u003cbr\u003e The Electron Correlation.\u003cbr\u003e \u003cbr\u003e Relativistic Effects.\u003cbr\u003e \u003cbr\u003e Normal Coordinates and Frequency Analysis.\u003cbr\u003e \u003cbr\u003e Population Analysis.\u003cbr\u003e \u003cbr\u003e Basis Sets.\u003cbr\u003e \u003cbr\u003e APPLIED COMPUTATIONAL QUANTUM CHEMISTRY.\u003cbr\u003e \u003cbr\u003e Group 1.\u003cbr\u003e \u003cbr\u003e Group 2.\u003cbr\u003e \u003cbr\u003e Group 13.\u003cbr\u003e \u003cbr\u003e Group 14.\u003cbr\u003e \u003cbr\u003e Group 15.\u003cbr\u003e \u003cbr\u003e Group 16.\u003cbr\u003e \u003cbr\u003e Group 17.\u003cbr\u003e \u003cbr\u003e Group 18.\u003cbr\u003e \u003cbr\u003e QUALITATIVE VALENCE BOND DESCRIPTIONS OF THE ELECTRONIC STRUCTURES OF SOME ELECTRON-RICH MOLECULES, USING INCREASED-VALENCE THEORY.\u003cbr\u003e \u003cbr\u003e Increased-Valence Structures.\u003cbr\u003e \u003cbr\u003e References.\u003cbr\u003e \u003cbr\u003e Index.\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003eSubject Areas: Chemistry [\u003ca title=\"See our other books on Chemistry\" href=\"https:\/\/freshlyprintedbooks.co.uk\/search?q=%22Chemistry%20%5BPN%5D%22\"\u003ePN\u003c\/a\u003e]\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\r\n\u003c\/font\u003e","brand":"Wiley","offers":[{"title":"Brand New","offer_id":52316726886680,"sku":"9780471972426","price":310.79,"currency_code":"GBP","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0730\/2037\/5320\/files\/9780471972426.jpg?v=1781822677","url":"https:\/\/freshlyprintedbooks.co.uk\/products\/quantum-chemical-methods-in-main-group-chemistry-hardback-9780471972426","provider":"Freshly Printed Books","version":"1.0","type":"link"}