{"product_id":"theoretical-and-computational-models-for-s-j-formosinho-9780792313144","title":"Theoretical and Computational Models for Organic Chemistry","description":"Chemistry as an exact science.- Computational bottlenecks in molecular orbital calculations.- Variational transition state theory calculations of concerted hydrogen atom tunneling in water clusters and formaldehyde \/ water clusters.- Double many-body expansion potential energy surface for O4(3A), dynamics of the O(3P) + O3(1A1) reaction, and second virial coefficients of molecular oxygen.- The self-consistent reaction field model for molecular computations in solution.- New symmetry theorems and similarity rules for transition structures.- A topological analysis of macromolecular folding patterns.- Molecular mechanics.- Predicting the three-dimensional structure of proteins by homology-based model building.- Understanding chemical reactivity through the intersecting-state model.- The states of an electron pair and photochemical reactivity.- Ab-initio modelling of chemical reactivity using MC-SCF and VB methods.- The supra-supra mechanism of forbidden and allowed cycloaddition reactions: an analysis a VB model.- Excited state proton transfer reactions.- An exploratory study to correlate experimental and theoretical acidities of organic molecules.- Molecules with \"volcanic\" ground hypersurfaces. Structure, stability and energetics.- Molecular hydrogen as a ligand in transition metal complexes.- Molecular orbital studies of reductive elimination reactions.- Laboratory projects in computational organic chemistry.\u003cbr\u003e\u003cbr\u003e\u003cb\u003eAuthor:\u003c\/b\u003e S. J. Formosinho\u003cbr\u003e\u003cb\u003eISBN-10:\u003c\/b\u003e 0792313143\u003cbr\u003e\u003cb\u003eISBN-13:\u003c\/b\u003e 9780792313144\u003cbr\u003e\u003cb\u003ePublisher:\u003c\/b\u003e Kluwer Academic Publishers\u003cbr\u003e\u003cb\u003eLanguage:\u003c\/b\u003e English\u003cbr\u003e\u003cb\u003ePublished:\u003c\/b\u003e 06\/30\/1991\u003cbr\u003e\u003cb\u003ePages:\u003c\/b\u003e 456\u003cbr\u003e\u003cb\u003eFormat:\u003c\/b\u003e Hardcover\u003cbr\u003e\u003cb\u003eWeight:\u003c\/b\u003e 1.79lbs\u003cbr\u003e\u003cb\u003eSize:\u003c\/b\u003e 9.21h x 6.14w x 1.00d","brand":"S. J. Formosinho","offers":[{"title":"Hardcover","offer_id":47425059422463,"sku":"9780792313144","price":99.0,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0662\/2982\/9887\/files\/img_f0a70563-2861-44d4-8dbb-b6d32485371c.jpg?v=1761536726","url":"https:\/\/www.whiterainbookhouse.com\/products\/theoretical-and-computational-models-for-s-j-formosinho-9780792313144","provider":"WR Book House","version":"1.0","type":"link"}