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Computational Chemistry
World Scientific Publishing Company 2003; US$ 137.80Chapter 1 of this volume provides an overview of the theoretical and numerical aspects in the development of the polarizable continuum model (PCM). Chapter 2 demonstrates a multiplicative scheme used to estimate the properties of two- and three-dimensional clusters from the properties of their one-dimensional components. more...
Computational Chemistry
World Scientific Publishing Company 2005; US$ 113.00Vast progress in the area of computational chemistry has been achieved in the last decade. Theoretical methods such as quantum mechanics, molecular dynamics and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs and chemicals. The reviews presented in this volume discuss the current... more...
Computational Materials Science
Elsevier Science 2004; US$ 238.00Computational tools have been permanently deposited into the toolbox of theoretical chemists. The impact of new computational tools can hardly be overestimated, and their presence in research and applications is overwhelming. Theoretical methods such as quantum mechanics, molecular dynamics, and statistical mechanics have been successfully used to... more...
Practical Aspects of Computational Chemistry
Springer 2009; US$ 159.99Presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields. This title includes chapters that focus on the theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources. more...
Radiation Induced Molecular Phenomena in Nucleic Acids
Springer 2008; US$ 499.99Comprehensive theoretical and experimental analysis of UV-radiation and low energy electron induced phenomena in nucleic acid bases (NABs) and base assemblies are presented in this book. NABs are highly photostable; the absorbed energy is dissipated in the form of ultrafast nonradiative decay. This book highlights the possible mechanisms of these phenomena... more...
Practical Aspects of Computational Chemistry I
Springer 2012; US$ 179.99Practical Aspects of Computational Chemistry describes the progress made during the last two decades by researchers in theoretical methodologies. The huge variety of applications to problems of chemical interest is presented. Since progress in nanomaterials and associated fields have also been made within the last two decades, this volume provides... more...
Non-linear Optical Properties of Matter
Springer 2007; US$ 349.99Divided into two parts, this book deals with the theory and computing of non-linear optical (NLO) properties in the first part. It examines the methods employed to compute the properties of both microscopic and macroscopic forms of matter. Part 2 covers the advances on the NLO properties of organometallic compounds, rotaxanes, glasses, and others. more...
Towards Efficient Designing of Safe Nanomaterials
Royal Society of Chemistry 2012; US$ 246.00The expanding field of nanotechnology is now one of the most promising areas of science. However, because some nanoparticles can have a negative impact on human health and the environment, the design of novel materials must always be accompanied by a comprehensive risk assessment. Until now, the information on the methods available has been fragmented... more...
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