{"product_id":"discovering-chemistry-paperback","title":"Discovering Chemistry - Paperback","description":"\u003cp\u003eby \u003cb\u003eFrank Weinhold\u003c\/b\u003e (Author)\u003c\/p\u003e\u003cp\u003eThis book explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies which are relevant in reactivity problems. It offers the first book on conceptual quantum chemistry, a key area for understanding chemical principles and predicting chemical properties. It presents NBO mathematical algorithms embedded in a well-tested and widely used computer program (currently, NBO 5.9). While encouraging a \"look under the hood\" (Appendix A), this book mainly enables students to gain proficiency in using the NBO program to re-express complex wavefunctions in terms of intuitive chemical concepts and orbital imagery.\u003cbr\u003e \u003cbr\u003e\u003c\/p\u003e\u003ch3\u003eFront Jacket\u003c\/h3\u003e\u003cp\u003e\u003c\/p\u003e\u003cp\u003e\u003cb\u003eLearn how to investigate chemical bonding questions using modern NBO computational methods\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eUsing the latest computational technology, this practical how-to guide to chemical discovery introduces readers to natural bond orbital (NBO) concepts, strategies, and practical implementations. Without resorting to complex mathematics and programming, readers will learn how to fully leverage the NBO 5.9 computer program to re-express complex multi-electron wave functions in terms of intuitive chemical concepts and orbital imagery.\u003c\/p\u003e \u003cp\u003eDiscovering Chemistry with Natural Bond Orbitals begins with an introductory chapter that sets forth the basics, including how to produce orbital imagery. Next, the authors cover such critical topics as: \u003c\/p\u003e \u003cul\u003e \u003cli\u003eElectrons in atoms\u003c\/li\u003e \u003cli\u003eHybrids and bonds in molecules\u003c\/li\u003e \u003cli\u003eSteric and electrostatic effects\u003c\/li\u003e \u003cli\u003eAtoms in molecules\u003c\/li\u003e \u003cli\u003eResonance delocalization corrections\u003c\/li\u003e \u003cli\u003eNuclear and electronic spin effects\u003c\/li\u003e \u003c\/ul\u003e \u003cp\u003eEach chapter ends with problems and exercises that enable readers to apply NBO methods to investigate chemical bonds, their intrinsic energies, and the corresponding dissociation energies that are relevant in reactivity problems. There are also worked-out examples and sample input and output throughout the text to help guide and support readers in their own investigations. In addition, the text features numerous sidebars and links to websites and other texts where more in-depth information can be found on individual topics.\u003c\/p\u003e \u003cp\u003eThere are five appendices at the end of the text filled with useful supplementary material, including Appendix D, What if Something Goes Wrong?, to help readers solve common problems that arise in NBO investigations.\u003c\/p\u003e \u003cp\u003eFollowing this text's clear explanations, even readers with limited backgrounds in quantum mechanics will learn how to perform sophisticated explorations of modern bonding and valency concepts.\u003c\/p\u003e\u003ch3\u003eBack Jacket\u003c\/h3\u003e\u003cp\u003e\u003c\/p\u003e\u003cp\u003e\u003cb\u003eLearn how to investigate chemical bonding questions using modern NBO computational methods\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eUsing the latest computational technology, this practical how-to guide to chemical discovery introduces readers to natural bond orbital (NBO) concepts, strategies, and practical implementations. Without resorting to complex mathematics and programming, readers will learn how to fully leverage the NBO 5.9 computer program to re-express complex multi-electron wave functions in terms of intuitive chemical concepts and orbital imagery.\u003c\/p\u003e \u003cp\u003eDiscovering Chemistry with Natural Bond Orbitals begins with an introductory chapter that sets forth the basics, including how to produce orbital imagery. Next, the authors cover such critical topics as: \u003c\/p\u003e \u003cul\u003e \u003cli\u003eElectrons in atoms\u003c\/li\u003e \u003cli\u003eHybrids and bonds in molecules\u003c\/li\u003e \u003cli\u003eSteric and electrostatic effects\u003c\/li\u003e \u003cli\u003eAtoms in molecules\u003c\/li\u003e \u003cli\u003eResonance delocalization corrections\u003c\/li\u003e \u003cli\u003eNuclear and electronic spin effects\u003c\/li\u003e \u003c\/ul\u003e \u003cp\u003eEach chapter ends with problems and exercises that enable readers to apply NBO methods to investigate chemical bonds, their intrinsic energies, and the corresponding dissociation energies that are relevant in reactivity problems. There are also worked-out examples and sample input and output throughout the text to help guide and support readers in their own investigations. In addition, the text features numerous sidebars and links to websites and other texts where more in-depth information can be found on individual topics.\u003c\/p\u003e \u003cp\u003eThere are five appendices at the end of the text filled with useful supplementary material, including Appendix D, \"What if Something Goes Wrong?\", to help readers solve common problems that arise in NBO investigations.\u003c\/p\u003e \u003cp\u003eFollowing this text's clear explanations, even readers with limited backgrounds in quantum mechanics will learn how to perform sophisticated explorations of modern bonding and valency concepts.\u003c\/p\u003e\u003ch3\u003eAuthor Biography\u003c\/h3\u003e\u003cp\u003e\u003c\/p\u003e\u003cp\u003e\u003cb\u003eFRANK WEINHOLD, PhD, \u003c\/b\u003e is Emeritus Professor of Physical and Theoretical Chemistry at the University of Wisconsin-Madison. Professor Weinhold has served on the editorial advisory boards of the International Journal of Quantum Chemistry and Russian Journal of Physical Chemistry. He is the author of more than 170 technical publications and software packages, including the natural bond orbital program.\u003c\/p\u003e \u003cp\u003e\u003cb\u003eCLARK R. LANDIS, PhD, \u003c\/b\u003e is Professor of Inorganic Chemistry at the University of Wisconsin-Madison. He has received teaching and lectureship awards for his contributions to chemical education. Dr. Landis's research focuses on catalysis in transition metal complexes.\u003c\/p\u003e\u003cdiv\u003e\n\u003cstrong\u003eNumber of Pages:\u003c\/strong\u003e 336\u003c\/div\u003e\u003cdiv\u003e\n\u003cstrong\u003eDimensions:\u003c\/strong\u003e 0.8 x 9.1 x 6.1 IN\u003c\/div\u003e\u003cdiv\u003e\n\u003cstrong\u003eIllustrated:\u003c\/strong\u003e Yes\u003c\/div\u003e\u003cdiv\u003e\n\u003cstrong\u003ePublication Date:\u003c\/strong\u003e July 10, 2012\u003c\/div\u003e","brand":"Books by splitShops","offers":[{"title":"Default Title","offer_id":42738542149695,"sku":"9781118119969","price":172.72,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0105\/8226\/1823\/files\/3151193e83f2543df782844ff1295406.webp?v=1765153673","url":"https:\/\/dhlswag.com\/products\/discovering-chemistry-paperback","provider":"BBB","version":"1.0","type":"link"}