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Radiation Induced Molecular Phenomena in Nucleic Acids
Comprehensive 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 which is important for all living species and discusses technical challenges in exploration of these processes.
Implementation and Application of the Explicitly Correlated Coupled-cluster Method in Turbomole
In this thesis the implementation of the explicitly correlated coupled-cluster singles-and-doubles model is presented. This tool is capable of efficiently calculating CCSD energies at the basis set limit with relatively small orbital basis sets. The implementation supports RHF, UHF and ROHF reference wave functions. The usefulness of the developed tool is illustrated with selected chemical applications.
Defects of Consent in Consumer E-Commerce from the Polish Law Perspective
The regulation on defects of consent loses its usefulness and should be replaced by special regulations, more suited to the requirements of consumer e-commerce. The study’s main objective is to verify whether, due to the evolution of the concept of the declaration of intent, the emergence of non-individual consumer protection instruments, and technological developments the code regulation of defects in the declaration of will remains useful in the case of contracts concluded by consumers on the Internet. The impact of the development of the Internet environment on the applicability and effectiveness of this traditional private institution is analyzed. Mechanisms that, in practice, displace the regulation of vice of consent are indicated.
Shaping the Status of Heirs by Contractual Components under the Polish and German Inheritance Law
The contributions focus on succession and obligation law norms shaping the legal status of an heir and their comparison within Polish and German law systems. They analyse the impact of the instruments of contract law on the status of an heir. The adopted methodology combining the internal-national and external-comparative perspective allows the authors to present “similarities in dissimilarities” within institutions of the German and Polish succession law. The broad analyses of legal doctrine and jurisprudence can serve as a source of knowledge and points of reference for legal practitioners, courts and legislators.
Models of Implementation of Article 12 of the Convention on the Rights of Persons with Disabilities (CRPD)
This book examines the implications of Article 12 of the UN Convention on the Rights of Persons with Disabilities (CRPD), its resulting standard of protection for persons with disabilities and the way it is understood and implemented in its diverse signatory states. Its overarching theme is to assess the impact of CRPD Article 12 on the private law concept of legal capacity and its limitations, the significance of which carries over into the realm of penal law regulations. Its impact is analysed primarily from the legal point of view, but with due regard for its psychological and psychiatric ramifications. Recognising the importance of these disciplines is important when implementing CRPD Ar...
Molecular Dynamics
The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD). Features of this book: • Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD • Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers • Provides chemical reactions, interfaces, catalysis, surface phenomena and solids Although the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.
Reviews in Computational Chemistry, Volume 28
The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered around molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 28 include: Free-energy Calculations with Metadynamics Polarizable Force Fields for Biomolecular Modeling Modeling Protein Folding Pathways Assessing Structural Predictions of Protein-Protein Recognition Kinetic Monte Carlo Simulation of Electrochemical Systems Reactivity and Dynamics at Liquid Interfaces
Mechanisms and Pathways of Heterotrimeric G Protein Signaling
This volume in the Advances in Protein Chemistry series features cutting-edge articles on topics in protein chemistry. This volume includes chapters on the structural basis of effector regulation and signal termination in heterotrimeric Gƒуnƒnproteins; How do receptors activate G proteins; Some mechanistic insights into GPCR activation from detergent solubilized ternary complexes on beads; Activation of G protein coupled receptors; Kinetic analysis of g-protein-coupled receptor signaling using fluorescence resonance energy transfer in living cells; Regulation of Rho Guanine Nucleotide Exchange Factors (RhoGEFs) by G proteins.
