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Chemical Modelling
Chemical modelling covers a wide range of disciplines and this book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, it is a convenient reference to the current literature. Coverage includes, but is not limited to, isomerism in polyoxometalate chemistry, modelling molecular magnets, molecular modelling of cyclodextrin inclusion complexes and graphene nanoribbons heterojunctions.
Chemical Modelling
Chemical modelling covers a wide range of hot topics and active areas in computational chemistry and related fields. With the increase in volume, velocity and variety of information, researchers can find it difficult to keep up to date with the literature in these areas. Containing both comprehensive and critical reviews, this book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling.
Quantum Chemistry
This textbook introduces the reader to quantum theory and quantum chemistry. The textbook is meant for 2nd – 3rd year bachelor students of chemistry or physics, but also for students of related disciplines like materials science, pharmacy, and bioinformatics. At first, quantum theory is introduced, starting with experimental results that made it inevitable to go beyond classical physics. Subsequently, the Schrödinger equation is discussed in some detail. Some few examples for which the Schrödinger equation can be solved exactly are treated with special emphasis on relating the results to real systems and interpreting the mathematical results in terms of experimental observations. Ultimat...
Chemical Modelling
Reflecting the growing volume of published work in this field, researchers will find this book an invaluable source of information on current methods and applications.
Chemical Modelling Volume 13
Chemical modelling covers a wide range of disciplines and with the increase in volume, velocity and variety of information, researchers can find it difficult to keep up to date with the literature in this field. This book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, its coverage includes materials for energy storage, nanoflakes, chemical modelling of fluidics near surfaces and organic solar cells.
Who's Who in Plastics Polymers
This is the first edition of a unique new plastics industry resource: Who's Who in Plastics & Polymers. It is the only biographical directory of its kind and includes contact, affiliation and background information on more than 3300 individuals who are active leaders in this industry and related organizations. The biographical directory is i
Challenges in Detection Approaches for Forensic Science
Forensic science combines analytical science with the requirements of law enforcement agencies and legislation. This can often pose challenges within the development of novel analytical methods, particularly with the drive to have more in-field and in-situ applications to facilitate the investigation of criminal cases. This book will explore the specific challenges encountered by forensic scientists and the developments that are being made to address these within the framework of the legislative requirements. It will provide a critical appraisal of the current challenges facing analytical approaches for the detection of forensic evidence and the state of the art technologies used to address these challenges. Providing an excellent combination of current research and how this pertains to forensic investigations, the book will also highlight key obstacles within this ever-changing environment. Aimed at graduates and forensic professionals, this is a unique oversight of the current work being undertaken within the development of analytical methods and also in the interpretation of complex crime scene samples.
Advances in Computational Methods in Sciences and Engineering 2005 (2 vols)
This volume brings together selected contributed papers presented at the International Conference of Computational Methods in Science and Engineering (ICCMSE 2005), held in Greece, 21 aEURO" 26 October 2005. The conference aims to bring together computational scientists from several disciplines in order to share methods and ideas. The ICCMSE is unique in its kind. It regroups original contributions from all fields of the traditional Sciences, Mathematics, Physics, Chemistry, Biology, Medicine and all branches of Engineering. It would be perhaps more appropriate to define the ICCMSE as a conference on computational science and its applications to science and engineering. Topics of general int...
Calculations on nonlinear optical properties for large systems
For design purposes one needs to relate the structure of proposed materials to their NLO (nonlinear optical) and other properties, which is a situation where theoretical approaches can be very helpful in providing suggestions for candidate systems that subsequently can be synthesized and studied experimentally. This brief describes the quantum-mechanical treatment of the response to one or more external oscillating electric fields for molecular and macroscopic, crystalline systems. To calculate NLO properties of large systems, a linear scaling generalized elongation method for the efficient and accurate calculation is introduced. The reader should be aware that this treatment is particularly feasible for complicated three-dimensional and/or delocalized systems that are intractable when applied to conventional or other linear scaling methods.
