02095nam1 22003973i 450 CFI007841220231121125434.019991006g1987 ||||0itac50 balatspabez01i xxxe z01nRoderici Ximenii de Rada Opera omniaTurnholtiTypographi Brepols editores pontificii v.26 cm.Corpus Christianorum. Continuatio Mediaevalis001CFI00784492001 Corpus Christianorum. Continuatio Mediaevalis001CFI00784302001 1Roderici Ximenii de Rada Historia de rebus Hispaniae, sive Historia Gothicacura et studio Juan Fernández Valverde1001MIL01418292001 ˜2.1: œRoderici Ximenii de Rada Breviarium historie catholice (1.-5.)cura et studio Juan Fernandez Valverde2.1001MIL01552802001 ˜2.2: œRoderici Ximenii de Rada Breviarium historie catholice (6.-9.)cura et studio Juan Fernandez Valverde2.2001TO007622582001 ˜3: œRoderici Ximenii de Rada Historiae minores, Dialogus libri vitecura et studio Juan Fernández Valverde, Juan Antonio Estévez Sola3Jiménez de Rada, RodrigoCFIV049620070157225Ximénez de Rada, RodrigoBVEV075053Jiménez de Rada, RodrigoXiménes, RodrigoBVEV075054Jiménez de Rada, RodrigoITIT-0119991006IT-RM028 IT-RM0313 IT-RM0281 IT-FR0084 IT-RM0151 Biblioteca Universitaria AlessandrinaRM028 BIBLIOTECA CASANATENSERM0313 BIBLIOTECA VALLICELLIANARM0281 Biblioteca Del Monumento Nazionale Di MontecassinoFR0084 Biblioteca Istituto Storico Italiano Medio Evo - IRM0151 CFI00784124 01 07 08 25 41 52Roderici Ximenii de Rada Opera omnia478811UNICAS05562nam 2200721 a 450 991081325830332120200520144314.09786611134853978128113485112811348569780470192597047019259397804701925800470192585(CKB)1000000000376819(EBL)331393(OCoLC)437198662(SSID)ssj0000120618(PQKBManifestationID)11145578(PQKBTitleCode)TC0000120618(PQKBWorkID)10091787(PQKB)10544263(MiAaPQ)EBC331393(Au-PeEL)EBL331393(CaPaEBR)ebr10278369(CaONFJC)MIL113485(OCoLC)173809040(FINmELB)ELB178957(Perlego)2749351(EXLCZ)99100000000037681920070927d2008 uy 0engur|n|---|||||txtccrA chemist's guide to valence bond theory /Sason Shaik, Philippe C. Hiberty1st ed.Hoboken, N.J. Wiley-Intersciencec20081 online resource (332 p.)Description based upon print version of record.9780470037355 0470037350 Includes bibliographical references and index.A CHEMIST'S GUIDE TO VALENCE BOND THEORY; CONTENTS; PREFACE; 1 A Brief Story of Valence Bond Theory, Its Rivalry with Molecular Orbital Theory, Its Demise, and Resurgence; 1.1 Roots of VB Theory; 1.2 Origins of MO Theory and the Roots of VB-MO Rivalry; 1.3 One Theory is Up the Other is Down; 1.4 Mythical Failures of VB Theory: More Ground is Gained by MO Theory; 1.5 Are the Failures of VB Theory Real?; 1.5.1 The O(2) Failure; 1.5.2 The C(4)H(4) Failure; 1.5.3 The C(5)H(5)(+) Failure; 1.5.4 The Failure Associated with the Photoelectron Spectroscopy of CH(4)1.6 Valence Bond is a Legitimate Theory Alongside Molecular Orbital Theory1.7 Modern VB Theory: Valence Bond Theory is Coming of Age; 2 A Brief Tour Through Some Valence Bond Outputs and Terminology; 2.1 Valence Bond Output for the H(2) Molecule; 2.2 Valence Bond Mixing Diagrams; 2.3 Valence Bond Output for the HF Molecule; 3 Basic Valence Bond Theory; 3.1 Writing and Representing Valence Bond Wave Functions; 3.1.1 VB Wave Functions with Localized Atomic Orbitals; 3.1.2 Valence Bond Wave Functions with Semilocalized AOs; 3.1.3 Valence Bond Wave Functions with Fragment Orbitals3.1.4 Writing Valence Bond Wave Functions Beyond the 2e/2c Case3.1.5 Pictorial Representation of Valence Bond Wave Functions by Bond Diagrams; 3.2 Overlaps between Determinants; 3.3 Valence Bond Formalism Using the Exact Hamiltonian; 3.3.1 Purely Covalent Singlet and Triplet Repulsive States; 3.3.2 Configuration Interaction Involving Ionic Terms; 3.4 Valence Bond Formalism Using an Effective Hamiltonian; 3.5 Some Simple Formulas for Elementary Interactions; 3.5.1 The Two-Electron Bond; 3.5.2 Repulsive Interactions in Valence Bond Theory; 3.5.3 Mixing of Degenerate Valence Bond Structures3.5.4 Nonbonding Interactions in Valence Bond Theory3.6 Structural Coefficients and Weights of Valence Bond Wave Functions; 3.7 Bridges between Molecular Orbital and Valence Bond Theories; 3.7.1 Comparison of Qualitative Valence Bond and Molecular Orbital Theories; 3.7.2 The Relationship between Molecular Orbital and Valence Bond Wave Functions; 3.7.3 Localized Bond Orbitals: A Pictorial Bridge between Molecular Orbital and Valence Bond Wave Functions; Appendix; 3.A.1 Normalization Constants, Energies, Overlaps, and Matrix Elements of Valence Bond Wave Functions3.A.1.1 Energy and Self-Overlap of an Atomic Orbital-Based Determinant3.A.1.2 Hamiltonian Matrix Elements and Overlaps between Atomic Orbital-Based Determinants; 3.A.2 Simple Guidelines for Valence Bond Mixing; Exercises; Answers; 4 Mapping Molecular Orbital-Configuration Interaction to Valence Bond Wave Functions; 4.1 Generating a Set of Valence Bond Structures; 4.2 Mapping a Molecular Orbital-Configuration Interaction Wave Function into a Valence Bond Wave Function; 4.2.1 Expansion of Molecular Orbital Determinants in Terms of Atomic Orbital Determinants4.2.2 Projecting the Molecular Orbital-Configuration Interaction Wave Function Onto the Rumer Basis of Valence Bond StructuresThis reference on current VB theory and applications presents a practical system that can be applied to a variety of chemical problems in a uniform manner. After explaining basic VB theory, it discusses VB applications to bonding problems, aromaticity and antiaromaticity, the dioxygen molecule, polyradicals, excited states, organic reactions, inorganic/organometallic reactions, photochemical reactions, and catalytic reactions. With a guide for performing VB calculations, exercises and answers, and numerous solved problems, this is the premier reference for practitioners and upper-level studentValence (Theoretical chemistry)Valence (Theoretical chemistry)541/.224Shaik Sason S.1943-1601254Hiberty Philippe C1601255MiAaPQMiAaPQMiAaPQBOOK9910813258303321A chemist's guide to valence bond theory3924787UNINA03176nam 22004573 450 991063769440332120240415084506.01-63828-053-3(CKB)5860000000282520(oapen)https://directory.doabooks.org/handle/20.500.12854/95746(MiAaPQ)EBC30191446(Au-PeEL)EBL30191446(OCoLC)1492945352(EXLCZ)99586000000028252020240415d2022 uy 0engurmn|---annantxtrdacontentcrdamediacrrdacarrierConvex Optimization for Machine Learning1st ed.Norwell, MA :Now Publishers,2022.©2022.1 electronic resource (379 p.)NowOpen1-63828-052-5 This book covers an introduction to convex optimization, one of the powerful and tractable optimization problems that can be efficiently solved on a computer. The goal of the book is to help develop a sense of what convex optimization is, and how it can be used in a widening array of practical contexts with a particular emphasis on machine learning. The first part of the book covers core concepts of convex sets, convex functions, and related basic definitions that serve understanding convex optimization and its corresponding models. The second part deals with one very useful theory, called duality, which enables us to: (1) gain algorithmic insights; and (2) obtain an approximate solution to non-convex optimization problems which are often difficult to solve. The last part focuses on modern applications in machine learning and deep learning. A defining feature of this book is that it succinctly relates the “story” of how convex optimization plays a role, via historical examples and trending machine learning applications. Another key feature is that it includes programming implementation of a variety of machine learning algorithms inspired by optimization fundamentals, together with a brief tutorial of the used programming tools. The implementation is based on Python, CVXPY, and TensorFlow. This book does not follow a traditional textbook-style organization, but is streamlined via a series of lecture notes that are intimately related, centered around coherent themes and concepts. It serves as a textbook mainly for a senior-level undergraduate course, yet is also suitable for a first-year graduate course. Readers benefit from having a good background in linear algebra, some exposure to probability, and basic familiarity with Python.NowOpen SeriesOptimizationbicsscConvex Optimization, Deep Learning, Generative Adversarial Networks (GANs), TensorFlow, Supervised Learning, Wasserstein GAN, Strong Duality, Weak Duality, Computed TomographyOptimization006.31Suh Changho1310449MiAaPQMiAaPQMiAaPQBOOK9910637694403321Convex Optimization for Machine Learning3029832UNINA