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The Art of Molecular Dynamics Simulation
The extremely powerful technique of molecular dynamics simulation involves solving the classical many-body problem in contexts relevant to the study of matter at the atomistic level. Since there is no alternative approach capable of handling this extremely broad range of problems at the required level of detail, molecular dynamics methods have proved themselves indispensable in both pure and applied research. This book, first published in 2004, is a blend of tutorial and recipe collection, providing both an introduction to the subject for beginners and a reference manual for the more experienced practitioner. It is organized as a series of case studies that take the reader through each of the steps from formulating the problem, developing the necessary software, and then using the programs to make actual measurements. The second edition of the book includes a substantial amount of new material as well as completely rewritten software.
CHEMICAL PROCESS CALCULATIONS
The present textbook is written for undergraduate students of chemical engineering as per the syllabus framed by AICTE curriculum. It explains the basic chemical process principles in a lucid manner. SI units, chemical stoichiometry and measures of composition, behaviour of gases, vapour pressure of pure substances, and humidity and saturation are covered in detail. In addition, mass and energy balances of chemical processes have also been described. Chemical processes without chemical reactions include fluid flow, mixing, evaporation distillation, absorption and stripping, liquid–liquid extraction, leaching and washing, adsorption, drying, crystallization and membrane separation process. SALIENT FEATURES • Description of all concepts and principles with a rich pedagogy for easy understanding • Correct use of SI units • Over 270 solved examples for understanding the basic concepts • Answers to all chapter-end numerical problems for checking the accuracy of calculations TARGET AUDIENCE • BE/B.Tech (Chemical Engineering)
Frontiers in Chemistry: Rising Stars
The Frontiers in Chemistry Editorial Office team are delighted to present the inaugural “Frontiers in Chemistry: Rising Stars” article collection, showcasing the high-quality work of internationally recognized researchers in the early stages of their independent careers. All Rising Star researchers featured within this collection were individually nominated by the Journal’s Chief Editors in recognition of their potential to influence the future directions in their respective fields. The work presented here highlights the diversity of research performed across the entire breadth of the chemical sciences, and presents advances in theory, experiment and methodology with applications to co...
Molecular Characterization and Analysis of Polymers
EduGorilla Publication is a trusted name in the education sector, committed to empowering learners with high-quality study materials and resources. Specializing in competitive exams and academic support, EduGorilla provides comprehensive and well-structured content tailored to meet the needs of students across various streams and levels.
Molecular Aspects of Papovaviruses
It is almost twenty years since the first DNA tumor virus meeting was held at Cold Spring Harbor. At this meeting studies on three tumor viruses were discussed: the papovaviruses, the adenoviruses and the herpesviruses. The present series Developments in Molecular Virology chose to reverse this sequence by first publishing books on the herpesviruses, followed by adenoviruses, and only now the papo vaviruses. All the DNA tumor viruses gained their original reputation by serving as model systems in animal cells for studying gene expression and gene regulation, but SV40 and polyoma have been the jewel in the crown in these studies, as A phage was for the study of prokaryotes. SV40 was the first...
Liquid Crystals
Types and classification of liquid crystals. Theories of liquid crystals. Dynamic scattering mode LCDs.
Molecular Modeling
Written by experienced experts in molecular modeling, this books describes the basics to the extent that is necessary if one wants to be able to reliably judge the results from molecular modeling calculations. Its main objective is the description of the various pitfalls to be avoided. Without unnecessary overhead it leads the reader from simple calculations on small molecules to the modeling of proteins and other relevant biomolecules. A textbook for beginners as well as an invaluable reference for all those dealing with molecular modeling in their daily work!
The Epididymis: From Molecules to Clinical Practice
Since the late 1960s, there has been an acceleration of research focused on understanding how the efferent ducts, the epididymis, and the vas deferens function with respect to the maturation and storage of spermatozoa and as hormone dependent tissues. Another major interest in the epididymis is that it is an attractive target for the development of male contraceptives. There are well over 16,000 peer reviewed articles in the literature on these tissues, their structure, gene expression, protein synthesis and function. Regular international meetings have been initiated that are dedicated to this field. Thus, there is an urgent need for a comprehensive reference volume that spans every facet of epididymal biology, from historical background to the most current results, from basic cell and molecular biology to clinical issues. Well-established experts from every part of the world have contributed to this volume. By necessity, each author was given page limitations so that many topics are not dealt with exhaustively. Whenever possible, references to more comprehensive discussion of specific topics are included.
Organosilicon Chemistry
Organosilicon Chemistry provides information pertinent to the fundamental aspects and application of organosilicon chemistry. This book discusses the exact manner and extent of d-orbital involvement in organosilicon compounds in ground, electronic, and transition excited states. Organized into two parts encompassing 21 chapters, this book begins with an overview of preparing stable organosiliconium ions. This text then discusses the use of fused salts as reaction media in the preparative chemistry. Other chapters consider a detailed investigation on the molecular association and volatility of alkoxides of group (IV) elements. This book discusses as well the reaction between dimethyldichlorosilane and ethylene glycon, which has been shown to produce a dimeric ten-membered ring compound. The final chapter deals with the results of the investigations concerning the properties of the contact mass and of the non-volatile silicon-free products, which are produced in the direct synthesis of phenylhalogenosilanes. This book is a valuable resource for chemists and research workers.
