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Kategoria BISAC: Science >> Chemistry  Computational & Molecular Modeling
ilość książek w kategorii: 198
The Supramolecular Chemistry of OrganicInorganic Hybrid Materials
ISBN: 9780470376218 / Angielski / Twarda / 766 str. The combination of supramolecular chemistry, inorganic solids, and nanotechnology has already led to significant advances in many areas such as sensing, controlled motion, and delivery. By making possible an unprecedented tunability of the properties of nanomaterials, these techniques open up whole new areas of application for future supramolecular concepts. The Supramolecular Chemistry of OrganicInorganic Hybrid Materials gathers current knowledge on the subject and provides an overview of the present state and upcoming challenges in this rapidly growing, highly cross or interdisciplinary...
The combination of supramolecular chemistry, inorganic solids, and nanotechnology has already led to significant advances in many areas such as sensin...


cena:
917,42 zł 
LinearScaling Techniques in Computational Chemistry and Physics: Methods and Applications
ISBN: 9789048128525 / Angielski / Twarda / 513 str. "LinearScaling Techniques in Computational Chemistry and Physics" summarizes recent progresses in linearscaling techniques and their applications in chemistry and physics. In order to meet the needs of a broad community of chemists and physicists, the book focuses on recent advances that extended the scope of possible exploitations of the theory. The first chapter provides an overview of the present state of the linearscaling methodologies and their applications, outlining hot topics in this field, and pointing to expected developments in the near future. This general... "LinearScaling Techniques in Computational Chemistry and Physics" summarizes recent progresses in linearscaling techniques and their applications... 

cena:
1288,10 zł 
Essential Computational Modeling in Chemistry: A Derivative of Handbook of Numerical Analysis Special Volume: Computation Chemistry, Volume 10
ISBN: 9780444537546 / Angielski / Miękka / 386 str. Essential Computational Modeling in Chemistry presents key contributions selected from the volume in the Handbook of Numerical Analysis: Computational Modeling in Chemistry Vol. 10(2005). Computational Modeling is an active field of scientific computing at the crossroads between Physics, Chemistry, Applied Mathematics and Computer Science. Sophisticated mathematical models are increasingly complex and extensive computer simulations are on the rise. Numerical Analysis and scientific software have emerged as essential steps for validating mathematical models and simulations based on... Essential Computational Modeling in Chemistry presents key contributions selected from the volume in the Handbook of Numerical Analysis: Computatio... 

cena:
315,58 zł 
Computational Molecular Science
ISBN: 9780470723074 / Angielski / Twarda / 3456 str. Easy access to information on all aspects of molecular computations Computational Molecular Science is the successor of the highly acclaimed Encyclopedia of Computational Chemistry, which was published by Wiley in 1998, and is the ultimate resource on all aspects of computational chemistry and its applications in chemistry, biology and materials science. Capturing the interdisciplinary flavour of the field, authors address key topics... Easy access to information on all aspects of molecular computations 

cena:
6379,94 zł 
Peptide Biosynthesis: Prohormone Convertases 1/3 and 2
ISBN: 9781615043644 / Angielski / Miękka / 108 str. The prohormone convertases (PC) 1/3 and 2 are calciumactivated eukaryotic subtilisins with low pH optima which accomplish the limited proteolysis of peptide hormone precursors within neurons and endocrine cells. In this lecture, we review the biochemistry, regulation, and roles of PC1/3 and 2 in disease, with an emphasis on the work published in the last 10 years. In the 20 years since their discovery, a great deal has been learned about their localization and cellular functions. Both PCs share the same four domains: the propeptides perform important roles in controlling activation and...
The prohormone convertases (PC) 1/3 and 2 are calciumactivated eukaryotic subtilisins with low pH optima which accomplish the limited proteolysis of ...


cena:
208,51 zł 
Recent Progress in OrbitalFree Density Functional Theory
ISBN: 9789814436724 / Angielski / Twarda / 451 str. This is a comprehensive overview of stateoftheart computational methods based on orbitalfree formulation of density functional theory completed by the most recent developments concerning the exact properties, approximations, and interpretations of the relevant quantities in density functional theory. The book is a compilation of contributions stemming from a series of workshops which had been taking place since 2002. It not only chronicles many of the latest developments but also summarises some of the more significant ones. The chapters are mainly reviews of subdomains but also include...
This is a comprehensive overview of stateoftheart computational methods based on orbitalfree formulation of density functional theory completed by...


cena:
634,13 zł 
Theoretical and Computational Aspects of Magnetic Organic Molecules
ISBN: 9781908977212 / Angielski / Twarda / 348 str. Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metalbased magnets. Individual organic molecules with high magnetic moments will be the foundation for design and fabrication of these materials.This book provides a systematic understanding of the structure and properties of organic magnetic molecules. After a summary of the phenomenon of magnetism at the molecular level, it presents a survey of the challenges to theoretical description and evaluation of the magnetic character of openshell molecules,...
Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metalbased...


cena:
536,17 zł 
LinearScaling Techniques in Computational Chemistry and Physics: Methods and Applications
ISBN: 9789400735569 / Angielski / Miękka / 516 str. "LinearScaling Techniques in Computational Chemistry and Physics" summarizes recent progresses in linearscaling techniques and their applications in chemistry and physics. In order to meet the needs of a broad community of chemists and physicists, the book focuses on recent advances that extended the scope of possible exploitations of the theory. The first chapter provides an overview of the present state of the linearscaling methodologies and their applications, outlining hot topics in this field, and pointing to expected developments in the near future. This general... "LinearScaling Techniques in Computational Chemistry and Physics" summarizes recent progresses in linearscaling techniques and their applications... 

cena:
1204,22 zł 
Molecular Excitation Dynamics and Relaxation: Quantum Theory and Spectroscopy
ISBN: 9783527410088 / Angielski / Twarda / 470 str. This work brings together quantum theory and spectroscopy to convey excitation processes to advanced students and specialists wishing to conduct research and understand the entire fi eld rather than just single aspects.
Written by experienced authors and recognized authorities in the field, this text covers numerous applications and offers examples taken from different disciplines. As a result, spectroscopists, molecular physicists, physical chemists, and biophysicists will all fi nd this a musthave for their research. Also suitable as supplementary reading in graduate level... This work brings together quantum theory and spectroscopy to convey excitation processes to advanced students and specialists wishing to conduct resea...


cena:
556,79 zł 
Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics
ISBN: 9789048138616 / Angielski / Miękka / 664 str. This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of computaional chemistry.
"Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics" is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of compu...


cena:
326,72 zł 
Chemical Theory Beyond the BornOppenheimer Paradigm: Nonadiabatic Electronic and Nuclear Dynamics in Chemical Reactions
ISBN: 9789814619646 / Angielski / Twarda / 448 str. This unique volume offers a clear perspective of the relevant methodology relating to the chemical theory of the next generation beyond the BornOppenheimer paradigm. It bridges the gap between cuttingedge technology of attosecond laser science and the theory of chemical reactivity. The essence of this book lies in the method of nonadiabatic electron wavepacket dynamic, which will set a new foundation for theoretical chemistry.In light of the great progress of molecular electronic structure theory (quantum chemistry), the authors show a new direction towards nonadiabatic electron dynamics,...
This unique volume offers a clear perspective of the relevant methodology relating to the chemical theory of the next generation beyond the BornOppen...


cena:
770,85 zł 
Computational Pharmaceutical Solid State Chemistry
ISBN: 9781118700747 / Angielski / Twarda / 424 str. This book is the first to combine computational material science and modeling of molecular solid states for pharmaceutical industry applications.
 Provides descriptive and applied stateoftheart computational approaches and workflows to guide pharmaceutical solid state chemistry experiments and to support/troubleshoot API solid state selection  Includes real industrial case examples related to application of modeling methods in problem solving  Useful as a supplementary reference/text for undergraduate, graduate and postgraduate students in computational chemistry,... This book is the first to combine computational material science and modeling of molecular solid states for pharmaceutical industry applications. 

cena:
552,15 zł 
Applied Principles of Chemometrics
ISBN: 9781632380555 / Angielski / Twarda / 340 str. A comprehensive account on chemometrics has been provided in this book. It elaborates the diverse uses of chemometric methods in various spheres like chemistry, biochemistry and chemical technology. Selected techniques of chemometry have been described in a lucid and comprehensive manner. This book is dedicated to bridging the distance between textbooks and science journals on chemometrics and chemoinformatics.
A comprehensive account on chemometrics has been provided in this book. It elaborates the diverse uses of chemometric methods in various spheres like ...


cena:
599,87 zł 
Computation Book
ISBN: 9781681273228 / Angielski / Miękka / 50 str. 

cena:
44,63 zł 
Quantum Modeling of Complex Molecular Systems
ISBN: 9783319216256 / Angielski / Twarda / 523 str. This multiauthor contributed volume includes methodological advances and original applications to actual chemical or biochemical phenomena which were not possible before the increased sophistication of modern computers. The chapters contain detailed reviews of the developments of various computational techniques, used to study complex molecular systems such as molecular liquids and solutions (particularly aqueous solutions), liquidgas, solidgas interphase and biomacromolecular systems. Quantum modeling of complex molecular systems is a useful resource for graduate students and... This multiauthor contributed volume includes methodological advances and original applications to actual chemical or biochemical phenomena which w... 

cena:
921,86 zł 
Modelling Molecules and Crystals with Chonx Stix
ISBN: 9781514390290 / Angielski / Miękka / 42 str. There are many benefits of using magnetic CHONX STIX to learn about various molecules and crystals. With CHONX STIX, atoms are given characters with characteristics that represent their properties. Bonds between atoms are anlogous to the holding of hands between people. This approach allows you to remember the properties of atoms. This makes molecules into a family of atoms bonding with each other analogous to bonds people make. This approach that only CHONX STIX provides makes it easier to understand anr remember the bonds within molecules and crystals.
There are many benefits of using magnetic CHONX STIX to learn about various molecules and crystals. With CHONX STIX, atoms are given characters with c...


cena:
43,44 zł 
The Wspc Reference on Organic Electronics: Organic Semiconductors (in 2 Volumes)
ISBN: 9789814699228 / Angielski / Twarda / 896 str. This 2volume set provides the reader with a basic understanding of the foundational concepts pertaining to the design, synthesis, and applications of conjugated organic materials used as organic semiconductors, in areas including organic photovoltaic devices, lightemitting diodes, fieldeffect transistors, spintronics, actuation, bioelectronics, thermoelectrics, and nonlinear optics.While there are many monographs in these various areas, the emphasis here is both on the fundamental chemistry and physics concepts underlying the field of organic semiconductors and on how these concepts drive...
This 2volume set provides the reader with a basic understanding of the foundational concepts pertaining to the design, synthesis, and applications of...


cena:
2330,29 zł 
Supramolecular Chemistry
ISBN: 9781518742811 / Angielski / Miękka / 224 str. Supramolecular chemistry is a branch of chemistry that describes selforganization or selfassembly of systems to welldefined molecular architectures.
Supramolecular chemistry is a branch of chemistry that describes selforganization or selfassembly of systems to welldefined molecular architectures...


cena:
156,38 zł 
Advances in Mathematical Chemistry and Applications: Volume 2
ISBN: 9781681080536 / Angielski / Miękka / 354 str. Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume... Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemi... 

cena:
614,65 zł 
Chemical Structures Coloring Book
ISBN: 9781530212941 / Angielski / Miękka / 108 str. The coloring book with something for everyone Feeling stressed? Color a page of Cortisol Need more energy? Caffeine Can't sleep after too much caffeine? Melatonin Woke too early and have a headache? Aspirin Feeling elated now that your headache is gone? Dopamine And many more. Features 50 chemical structures and their skeletal formulas.
The coloring book with something for everyone Feeling stressed? Color a page of Cortisol Need more energy? Caffeine Can't sleep after too much caff...


cena:
47,57 zł 