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Theoretical Treatment of Large Molecules and Their Interactions
The French chemist Marcelin Berthelot put forward a classical and by now an often cited sentence revealing the quintessence of the chemical science: "La Chimie cree son objet". This is certainly true because the largest number of molecular compounds were and are continuously synthesized by chemists themselves. However, modern computational quantum chemistry has reached a state of maturity that one can safely say: "La Chimie Theorique cree son objet" as well. Indeed, modern theoretical chemistry is able today to provide reliable results on elusive systems such as short living species, reactive intermediates and molecules which will perhaps never be synthesized because of one or another type o...
Quantum Chemistry of Organic Compounds
Chemistry is the science of substances (today we would say molecules) and their transformations. Central to this science is the complexity of shape and function of its typical representatives. There lies, no longer dependent on its vitalistic antecedents, the rich realm of molecular possibility called organic chemistry. In this century we have learned how to determine the three-dimensional structure of molecules. Now chemistry as whole, and organic chemistry in particular, is poised to move to the exploration of its dynamic dimension, the busy business of transformations or reactions. Oh, it has been done all along, for what else is synthesis? What I mean is that the theoretical framework ac...
Problem Solving in Computational Molecular Science
For all practical purposes the basic physical equations governing the behaviour of a system at the molecular level can only be solved approximately. The key issue in any reliable and accurate computational study in molecular physics and quantum chemistry is the adoption of a suitable model which contains the essential physics and chemistry, is computationally tractable, and preferably amenable to systematic refinement. The provision of advice on the choice of an appropriate model for a specific problem has so far received scant attention. This issue is becoming acute as `standard' software packages are becoming widely available and are being increasingly heavily used in both the academic and industrial sectors by researchers who have received no special training in the theoretical physics and chemistry that underpins them. This volume provides researchers whose background may not be in the computational molecular sciences with the necessary background to make intelligent use of the methods available by performing reliable calculations of appropriate accuracy and making a considered interpretation of the data so obtained.
Formal Methods for Components and Objects
Formal methods have been applied successfully to the verification of medium-sized programs in protocol and hardware design for some time. However, their application to the development of large systems requires more emphasis on specification, modeling, and validation techniques supporting the concepts of reusability and modifiability, and their implementation in new extensions of existing programming languages like Java. This book contains 20 revised papers submitted after the 10th Symposium on Formal Methods for Components and Objects, FMCO 2011, which was held in Turin, Italy, in October 2011. Topics covered include autonomic service-component ensembles; trustworthy eternal systems via evolving software, data, and knowledge; parallel patterns for adaptive heterogeneous multicore systems; programming for future 3D architectures with many cores; formal verification of object oriented software; and an infrastructure for reliable computer systems.
Ecology and Conservation of Tropical Ungulates in Latin America
This book brings together the latest information on tropical ungulates in different Latin American countries. These animals are not only important from the point of view of their role in different ecosystems, but also have cultural value for people. The book also discusses topics such as habitat transformation and hunting as these species are an important source of food in many places. Addressing ungulate natural communities in diverse ecosystems and countries, the book provides information on specific aspects of each of the most representative species, and highlights topics to help readers better understand these species and develop effective management and conservation strategies. The information presented also reveals the need for more knowledge and will hopefully provide the incentive for continued studies on this important group of animals. This publication serves as a reference for academic research on ungulate ecology, behavior and dynamics, as well as the basis for conservation strategies.
Advanced Mapping of Environmental Data
This book combines geostatistics and global mapping systems to present an up-to-the-minute study of environmental data. Featuring numerous case studies, the reference covers model dependent (geostatistics) and data driven (machine learning algorithms) analysis techniques such as risk mapping, conditional stochastic simulations, descriptions of spatial uncertainty and variability, artificial neural networks (ANN) for spatial data, Bayesian maximum entropy (BME), and more.
