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Atomistic Computer Simulations
Many books explain the theory of atomistic computer simulations; this book teaches you how to run them This introductory "how to" title enables readers to understand, plan, run, and analyze their own independent atomistic simulations, and decide which method to use and which questions to ask in their research project. It is written in a clear and precise language, focusing on a thorough understanding of the concepts behind the equations and how these are used in the simulations. As a result, readers will learn how to design the computational model and which parameters of the simulations are essential, as well as being able to assess whether the results are correct, find and correct errors, and extract the relevant information from the results. Finally, they will know which information needs to be included in their publications. This book includes checklists for planning projects, analyzing output files, and for troubleshooting, as well as pseudo keywords and case studies. The authors provide an accompanying blog for the book with worked examples, and additional material and references: http://www.atomisticsimulations.org/.
Large-Scale Quantum-Mechanical Enzymology
This work establishes linear-scaling density-functional theory (DFT) as a powerful tool for understanding enzyme catalysis, one that can complement quantum mechanics/molecular mechanics (QM/MM) and molecular dynamics simulations. The thesis reviews benchmark studies demonstrating techniques capable of simulating entire enzymes at the ab initio quantum-mechanical level of accuracy. DFT has transformed the physical sciences by allowing researchers to perform parameter-free quantum-mechanical calculations to predict a broad range of physical and chemical properties of materials. In principle, similar methods could be applied to biological problems. However, even the simplest biological systems ...
Successful Women Ceramic and Glass Scientists and Engineers
Presents a diverse perspective of successful, inspirational and progressive women in science and engineering Women of today from 29 countries provide overviews of their successful careers, the challenges they faced, and offer advice. They have lived in the same era, and perhaps also the same environment as you. Successful Women Ceramic and Glass Scientists and Engineers: 100 Inspirational Profiles features women born in the 1920’s to 1970’s. Reflecting a diversity of backgrounds and different sectors of the workforce, their profiles include: ̶- Affiliation, points of contact, accomplishments (most-cited publication, most prestigious recognitions/awards, etc.), personal insight on her be...
Humboldt Spektrum
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Bulletin advokacie
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Veronika a srdíčka pod lavicí
Mezi srdíčky, kočkami a růžovou Veronika miluje kočky, srdíčka, růžovou a nejšťastnější je, když je mezi kamarádkami, a když se na ni Marek nenápadně usměje... Verča má štěstí i na rodinu, jenomže jejího supertátu si kolem prstu omotává Alice, což je něco mezi modelkou a přízrakem z hororu s nebezpečně zákeřným chováním. Navíc se množí i trable ve škole. Veronika se ale nevzdává. Vyráží do boje a nezapomíná být sama sebou, šťastnou pohodovou holkou.
Statistical Physics
This undergraduate textbook provides a statistical mechanical foundation to the classical laws of thermodynamics via a comprehensive treatment of the basics of classical thermodynamics, equilibrium statistical mechanics, irreversible thermodynamics, and the statistical mechanics of non-equilibrium phenomena. This timely book has a unique focus on the concept of entropy, which is studied starting from the well-known ideal gas law, employing various thermodynamic processes, example systems and interpretations to expose its role in the second law of thermodynamics. This modern treatment of statistical physics includes studies of neutron stars, superconductivity and the recently developed fluctuation theorems. It also presents figures and problems in a clear and concise way, aiding the student’s understanding.
Modified Nucleic Acids
This book spans diverse aspects of modified nucleic acids, from chemical synthesis and spectroscopy to in vivo applications, and highlights studies on chemical modifications of the backbone and nucleobases. Topics discussed include fluorescent pyrimidine and purine analogs, enzymatic approaches to the preparation of modified nucleic acids, emission and electron paramagnetic resonance (EPR) spectroscopy for studying nucleic acid structure and dynamics, non-covalent binding of low- and high-MW ligands to nucleic acids and the design of unnatural base pairs. This unique book addresses new developments and is designed for graduate level and professional research purposes.
