Comprehensive Computational Chemistry stands as an authoritative publication, comprising over 150 chapters that encompass the entire spectrum of the field. It delves into the foundational principles of theoretical methods, the development of algorithms and software packages, and their extensive applications in various domains, including atmospheric chemistry, biochemistry, materials science, and medicinal chemistry.Edited by a team of world-renowned scientists, this four-volume set covers everything from the theoretical foundations of quantum chemistry to the intricacies of modeling chemical reactions, exploring excited electronic states, and delving into the dynamics of molecular systems. It also sheds light on the critical role of computational chemistry in understanding and designing highly specific and efficient catalysts for various applications.Whether you are entering the field, an accomplished scientist, or an ambitious undergraduate student, Comprehensive Computational Chemistry is an invaluable resource for navigating the ever-evolving landscape of computational chemistry.Computational chemistry is a rapidly evolving discipline with growing relevance in various scientific domains. This groundbreaking reference resource is poised to shape the trajectory of the field and push its boundaries into uncharted territories. Offers readers a 'one-stop', comprehensive resource for access to a wealth of information to fully support their research and activities in this area.Provides an excellent overview of the fieldPresents contemporary information that covers theoretical and computational chemistry INDICE: Advanced Electronic Structure Methods and Multireference Methods edited by Krishnan Raghavachari (Indiana University, IN, United StatesThe Valence Bond and Alternative Viewpoints edited by Sason Shaik (The Hebrew University of Jerusalem, Israel) & Philippe Hiberty (Université Paris-Saclay, France)The Analysis of Chemical Bonding and the Interpretation of Wave Functions edited by Paul Popelier (University of Manchester, UK)Clusters and Nanostructures edited by Eluvathingal D. Jemmis & R.S Swathi (Indian Institute of Science, India)Relativistic Effects and the Chemistry of Heavy Elements edited by Kenneth Ruud (UiT The Arctic University of Norway, Norway)Molecular Dynamics Simulations and Reaction Rates edited by Aatto Laaksonen and Francesca Mocci (Stockholm University, Sweden & Università di Cagliari, Italy)Excited States and Photodynamic Simulations from Photobiology to Photomaterials edited by Leticia Gonzalez (Universität Wien, Austria)Molecular Interactions and Catalysis edited by Heather Kulik (MIT, United States)
- ISBN: 978-0-12-821978-2
- Editorial: Elsevier
- Encuadernacion: Cartoné
- Páginas: 3163
- Fecha Publicación: 23/10/2023
- Nº Volúmenes: 1
- Idioma: Inglés