{"product_id":"9783540120001","title":"Unified Valence Bond Theory of Electronic Structure: Applications","description":"\u003ch1\u003eUnified Valence Bond Theory of Electronic Structure: Applications\u003c\/h1\u003e \u003ch2\u003eEpiotis, N. D.\u003c\/h2\u003e \u003cp\u003eThe bond diagrammatic representation of molecules is the foundation of MOVB theory. To a certain extent, this kind of representation is analogous to the one on which \"resonance theory\" is based and this fact can be projected by a comparison of the various ways in which MOVB theory depicts a species made up of three core and two ligand MO's which define two subsystems containing a total of six electrons and the ways in which \"resonance theory\" (i. e. , qualitative VB theory) depicts a six-electron-six-AO species such as the pi system of CH =CH-CH=CH-CH=O. The 2 different pictorial representations are shown in Scheme 1 so that the analogies are made evident. First of all, the total MOVB diagrammatic representation of the 6\/5 species is obtained by a linear combination of three complete bond diagrams, as in Al, which describe the optimal linear combination of!l! MOVB Configuration Wavefunctions (CW's). By the same token, a total VB diagrammatic representation of the 6\/6 species can be obtained by writing a \"dot structure\", as in Bl, and taking this to mean the optimal linear combination of all VB CW's. Next, we can approxi­ mate the MOVB wavefunction of the 6\/5 species by one complete (or detailed) bond dia­ gram\" (A2). No simple VB representation analogy can be given in this case. Alterna­ tively, we can approximate the MOVB wavefunction by a linear combination of compact bond diagrams, as in A3, in the way described before.\u003c\/p\u003e \u003ch3\u003eDetails\u003c\/h3\u003e \u003cp\u003ePublished by: Springer\u003c\/p\u003e \u003cp\u003ePublication Date: 1983-03-01\u003c\/p\u003e \u003cp\u003eFormat: Paperback\u003c\/p\u003e \u003cp\u003eISBN-13: 9783540120001\u003c\/p\u003e \u003cp\u003eDOI: 10.1007\/978-3-642-93239-7\u003c\/p\u003e \u003cp\u003eDimensions: 244.0cm x170.0cm\u003c\/p\u003e \u003cp\u003ePages: 589.0\u003c\/p\u003e ","brand":"Springer Berlin Heidelberg","offers":[{"title":"Default Title","offer_id":44450580529292,"sku":"9783540120001","price":49.49,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0710\/9545\/1788\/files\/9783540120001_3f8e4bfc-67eb-47f0-8ec4-2441bab68277.jpg?v=1756927003","url":"https:\/\/fh90cf-fv.myshopify.com\/products\/9783540120001","provider":"Late Knight Books and Services, LLC","version":"1.0","type":"link"}