{"title":"Theoretical Chemistry And Computational Modelling","description":"\u003cp\u003eDelve into the complex world of theoretical chemistry and computational modelling. Explore cutting-edge research and methodologies shaping the future of chemical understanding and discovery. A fascinating series for students and researchers alike.\u003c\/p\u003e","products":[{"product_id":"photochemistry-book-maurizio-persico-9783319899718","title":"Photochemistry","description":"This book offers an introduction to photochemistry for students with a minimal background in physical chemistry and molecular quantum mechanics. The focus is from a theoretical perspective and highlights excited state dynamics. The authors, experienced lecturers, describe the main concepts in photochemical and photophysical processes that are used as a basis to interpret classical steady-state experimental results (essentially product branching ratios and quantum yields) and the most advanced time-resolved techniques. A significant portion of the content is devoted to the computational techniques present in quantum chemistry and molecular dynamics.With its short summaries, questions and exercises, this book is aimed at graduate students, while its theoretical focus differentiates it from most introductory textbooks on photochemistry.","brand":"WoB","offers":[{"title":"GB \/ NEW \/ GARDNERS","offer_id":49736636924177,"sku":"NGR9783319899718","price":0.0,"currency_code":"GBP","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0784\/4072\/6801\/files\/3319899716.jpg?v=1751445585"},{"product_id":"group-theory-applied-to-chemistry-book-arnout-jozef-ceulemans-9789402422474","title":"Group Theory Applied to Chemistry","description":"The second edition of this textbook provides a more elaborate explanation of several important group-theoretical concepts in quantum chemistry, such as: the bra-ket conjugation relation, the connection between point groups and isometries, the practical use of subduction tables, the eigenvalues of Cayley graphs, and the symmetry of Slater determinants. A new chapter introduces the application of line and plane groups to the properties of nanostructured low-dimensional molecular systems. In addition, several extra study problems are inserted to illustrate group theory at work in molecular science. The book is of great interest to advanced undergraduate and graduate students, enabling them to put the tools of group theory into practice when studying chemical problems of their own research. More experienced researchers will find in this book useful leads to the mathematical aspects of their subject.","brand":"WoB","offers":[{"title":"GB \/ NEW \/ GARDNERS","offer_id":52152892981521,"sku":"NGR9789402422474","price":0.0,"currency_code":"GBP","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0784\/4072\/6801\/files\/9789402422474.jpg?v=1757618214"},{"product_id":"chemical-reactions-book-gregory-parker-9783319872995","title":"Chemical Reactions","description":"This graduate textbook, written by experienced lecturers, features the study and computation of efficient reactive processes. The text begins with the problem of determining the chemical reaction properties by first decomposing complex processes into their elementary components. Next, the problem of two colliding mass points is investigated and relationships between initial conditions and collision outcomes are discussed. The failure of classical approaches to match experimental information is discussed and a quantum formulation of the calculation of the properties of two colliding bodies is provided. The authors go onto describe how the formalism is extended to structured collision partners by discussing the methods used to compute the electronic structure of polyelectronic reactants and products and the formalism of atom diatom reactions. Additionally, the relationships between the features of the potential energy surface and the outcomes of the reactive dynamics, are discussed.  Methods for computing quantum, classical, and semi-classical reactive probabilities based on the already discussed concepts and tools are also featured and the resulting main typical reactive behaviors are analyzed. Finally, the possibility of composing the computational tools and technologies needed to tackle more complex simulations as well as the various competences and distributed computing infrastructure needed for developing synergistic approaches to innovation are presented.","brand":"WoB","offers":[{"title":"- \/ - \/ INTERNAL","offer_id":52418413297937,"sku":null,"price":0.0,"currency_code":"GBP","in_stock":true},{"title":"GB \/ NEW \/ GARDNERS","offer_id":52418413887761,"sku":"NGR9783319872995","price":0.0,"currency_code":"GBP","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0784\/4072\/6801\/files\/9783319872995.jpg?v=1758929115"},{"product_id":"group-theory-applied-to-chemistry-book-arnout-jozef-ceulemans-9789402422443","title":"Group Theory Applied to Chemistry","description":"The second edition of this textbook provides a more elaborate explanation of several important group-theoretical concepts in quantum chemistry, such as: the bra-ket conjugation relation, the connection between point groups and isometries, the practical use of subduction tables, the eigenvalues of Cayley graphs, and the symmetry of Slater determinants. 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However, the practitioner of quantum chemistry and molecular modeling is not concerned with balls and sticks, but with subatomic particles: nuclei and electrons.   This textbook introduces the subtle metaphors which relate our macroscopic understanding of symmetry to the molecular world. It gradually explains how bodily rotations and reflections, which leave all inter-particle distances unaltered, affect the study of molecular phenomena that depend only on these internal distances. 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