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Physical & Theoretical

  • Introduction to Computational Chemistryby Frank Jensen

    Wiley 2016; US$ 74.50 US$ 64.57

    Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant... more...

  • The Notion of Activity in Chemistryby Jean-Louis Burgot

    Springer International Publishing 2016; US$ 138.66

    This book provides deep insight into the physical quantity known as chemical activity. The author probes deep into classical thermodynamics in Part I, and then into statistical thermodynamics in Part II, to provide the necessary background. The treatment has been streamlined by placing some background material in appendices. Chemical... more...

  • Computational Materials Scienceby June Gunn Lee

    CRC Press 2016; US$ 119.95

    This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods. The new edition expands upon the density functional theory (DFT) and how the original DFT has advanced to a more accurate level by GGA+U and hybrid-functional methods.... more...

  • Classical Thermodynamics of Fluid Systemsby Juan H. Vera; Grazyna Wilczek-Vera

    CRC Press 2016; US$ 159.95

    This text explores the connections between different thermodynamic subjects related to fluid systems. Emphasis is placed on the clarification of concepts by returning to the conceptual foundation of thermodynamics and special effort is directed to the use of a simple nomenclature and algebra. The book presents the structural elements of classical... more...

  • Advances in Medium and High Temperature Solid Oxide Fuel Cell Technologyby Marta Boaro; AricÚ Antonino Salvatore

    Springer International Publishing 2016; US$ 170.66

    In this book well-known experts highlight cutting-edge research priorities and discuss the state of the art in the field of solid oxide fuel cells giving an update on specific subjects such as protonic conductors, interconnects, electrocatalytic and catalytic processes and modelling approaches. Fundamentals and advances in this field are illustrated... more...

  • Metalloenzymes as Inspirational Electrocatalysts for Artificial Photosynthesisby Andreas S. J. L. Bachmeier

    Springer International Publishing 2016; US$ 127.99

    This thesis describes a series of investigations designed to assess the value of metalloenzymes in systems for artificial and adapted photosynthesis. The research presented explores the interplay between inherent enzyme properties such as structure, rates and thermodynamics, and the properties of the semiconducting materials to which the enzyme is... more...

  • Advances in Catalysisby Chunshan Song

    Elsevier Science 2016; US$ 245.00

    Advances in Catalysis fills the gap between journal papers and textbooks across the diverse areas of catalysis research. For more than 60 years, this series has dedicated itself to record and present the latest progress in the field of catalysis, providing the scientific community with comprehensive and authoritative reviews. This series is an invaluable... more...

  • Essentials of Pericyclic and Photochemical Reactionsby Biswanath Dinda

    Springer International Publishing 2016; US$ 92.79

    This book provides a concise introduction to pericyclic and photochemical reactions for organic synthesis. In the first part about pericyclic reactions, the author explains electrocyclic reactions, cycloaddition reactions, sigmatropic rearrangements, and group transfer reactions. The second part on photochemistry is dedicated to photochemical reactions... more...

  • Stimuli-Responsive Interfacesby Takeshi Kawai; Mineo Hashizume

    Springer Singapore 2016; US$ 82.12

    This book introduces recent progress in stimuli-responsive interfaces constructed on colloidal materials such as micelles and vesicles and on solid material surfaces. There is discussion of the effect of stimuli such as light, heat, pH, and electric field on changes in the morphology of the molecules at the interfaces and that of colloidal materials.... more...

  • Interaction-induced Electric Properties of van der Waals Complexesby Victor N. Cherepanov; Yulia N. Kalugina; Mikhail A. Buldakov

    Springer International Publishing 2016; US$ 45.86

    This brief explains the theory of the interaction-induced electrical properties of van der Waals complexes. It focuses on the interaction-induced electrical dipole moments, polarizabilities and first hyperpolarizabilities of atom-atomic, atom-molecular and molecular-molecular van der Waals complexes. more...