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Kategoria BISAC: Science >> Chemistry - Computational & Molecular Modeling
ilość książek w kategorii: 137
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Computational Toxicology: Risk Assessment for Chemicals
ISBN: 9781119282563 / Twarda / 432 str. Termin realizacji zamówienia: ok. 8-12 dni roboczych. A key resource for toxicologists across a broad spectrum of fields, this book offers a comprehensive analysis of molecular modelling approaches and strategies applied to risk assessment for pharmaceutical and environmental chemicals. - Provides a perspective of what is currently achievable with computational toxicology and a view to future developments - Helps readers overcome questions of data sources, curation, treatment, and how to model / interpret critical endpoints that support 21st century hazard assessment - Assembles cutting-edge concepts and leading... A key resource for toxicologists across a broad spectrum of fields, this book offers a comprehensive analysis of molecular modelling approaches ... |
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697,80 zł |
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The Supramolecular Chemistry of Organic-Inorganic Hybrid Materials
ISBN: 9780470376218 / Angielski / Twarda / 766 str. Termin realizacji zamówienia: ok. 22 dni roboczych. 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 Organic-Inorganic 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...
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cena:
744,40 zł |
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Essential Computational Modeling in Chemistry: A Derivative of Handbook of Numerical Analysis Special Volume: Computation Chemistry, Volume 10
ISBN: 9780444537546 / Angielski / Miękka / 386 str. Termin realizacji zamówienia: ok. 20 dni roboczych. 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... |
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cena:
325,45 zł |
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Peptide Biosynthesis: Prohormone Convertases 1/3 and 2
ISBN: 9781615043644 / Angielski / Miękka / 108 str. Termin realizacji zamówienia: ok. 22 dni roboczych. The prohormone convertases (PC) 1/3 and 2 are calcium-activated 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 calcium-activated eukaryotic subtilisins with low pH optima which accomplish the limited proteolysis of ...
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cena:
215,81 zł |
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Recent Progress in Orbital-Free Density Functional Theory
ISBN: 9789814436724 / Angielski / Twarda / 451 str. Termin realizacji zamówienia: ok. 22 dni roboczych. This is a comprehensive overview of state-of-the-art computational methods based on orbital-free 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 sub-domains but also include...
This is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of density functional theory completed by...
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cena:
653,26 zł |
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Theoretical and Computational Aspects of Magnetic Organic Molecules
ISBN: 9781908977212 / Angielski / Twarda / 348 str. Termin realizacji zamówienia: ok. 22 dni roboczych. Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metal-based 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 open-shell molecules,...
Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metal-based...
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cena:
558,81 zł |
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Chemical Theory Beyond the Born-Oppenheimer Paradigm: Nonadiabatic Electronic and Nuclear Dynamics in Chemical Reactions
ISBN: 9789814619646 / Angielski / Twarda / 448 str. Termin realizacji zamówienia: ok. 22 dni roboczych. This unique volume offers a clear perspective of the relevant methodology relating to the chemical theory of the next generation beyond the Born-Oppenheimer paradigm. It bridges the gap between cutting-edge 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 Born-Oppen...
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cena:
643,65 zł |
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Computational Pharmaceutical Solid State Chemistry
ISBN: 9781118700747 / Angielski / Twarda / 424 str. Termin realizacji zamówienia: ok. 8-12 dni roboczych. This book is the first to combine computational material science and modeling of molecular solid states for pharmaceutical industry applications.
- Provides descriptive and applied state-of-the-art 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. |
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cena:
568,95 zł |
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Applied Principles of Chemometrics
ISBN: 9781632380555 / Angielski / Twarda / 340 str. Termin realizacji zamówienia: ok. 16-18 dni roboczych. 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 ...
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cena:
623,75 zł |
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Computation Book
ISBN: 9781681273228 / Angielski / Miękka / 50 str. Termin realizacji zamówienia: ok. 16-18 dni roboczych. |
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cena:
47,37 zł |
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Modelling Molecules and Crystals with Chonx Stix
ISBN: 9781514390290 / Angielski / Miękka / 42 str. Termin realizacji zamówienia: ok. 16-18 dni roboczych. 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...
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cena:
46,15 zł |
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The Wspc Reference on Organic Electronics: Organic Semiconductors (in 2 Volumes)
ISBN: 9789814699228 / Angielski / Twarda / 896 str. Termin realizacji zamówienia: ok. 22 dni roboczych. This 2-volume 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, light-emitting diodes, field-effect 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 2-volume set provides the reader with a basic understanding of the foundational concepts pertaining to the design, synthesis, and applications of...
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cena:
2397,78 zł |
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Supramolecular Chemistry
ISBN: 9781518742811 / Angielski / Miękka / 224 str. Termin realizacji zamówienia: ok. 16-18 dni roboczych. Supramolecular chemistry is a branch of chemistry that describes self-organization or self-assembly of systems to well-defined molecular architectures.
Supramolecular chemistry is a branch of chemistry that describes self-organization or self-assembly of systems to well-defined molecular architectures...
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cena:
163,38 zł |
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Advances in Mathematical Chemistry and Applications: Volume 2
ISBN: 9781681080536 / Angielski / Miękka / 354 str. Termin realizacji zamówienia: ok. 20 dni roboczych. 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... |
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cena:
633,05 zł |
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Chemical Structures Coloring Book
ISBN: 9781530212941 / Angielski / Miękka / 108 str. Termin realizacji zamówienia: ok. 16-18 dni roboczych. 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...
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cena:
50,42 zł |
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Notebook - Chemical Structures Theme
ISBN: 9781530389841 / Angielski / Miękka / 112 str. Termin realizacji zamówienia: ok. 16-18 dni roboczych. Lined notebook with chemical structures for coloring. Includes the following structures: acetate, acetic acid, acetone, adrenaline, ammonia, ascorbic acid, aspirin, beryllium fluoride, beta-carotene, biotin, butane, caffeine, cetyl palmitate, cholecalciferol, cholesterol, choline, citric acid, cortisol, cyanocobalamin, disulfur dinitride, dopamine, ergocalciferol, estradiol, ethanol, folic acid, formaldehyde, glucose, glycerin, hydrochloric acid, indigo, inositol, isopropyl alcohol, lactose, melatonin, methane, niacin, octane, oxoborane, pantothenic acid, phytonadione, progesterone, propylene...
Lined notebook with chemical structures for coloring. Includes the following structures: acetate, acetic acid, acetone, adrenaline, ammonia, ascorbic ...
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cena:
32,61 zł |
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Notebook - Chemical Structures Theme
ISBN: 9781530389872 / Angielski / Miękka / 112 str. Termin realizacji zamówienia: ok. 16-18 dni roboczych. Lined notebook with chemical structures for coloring. Includes the following structures: acetate, acetic acid, acetone, adrenaline, ammonia, ascorbic acid, aspirin, beryllium fluoride, beta-carotene, biotin, butane, caffeine, cetyl palmitate, cholecalciferol, cholesterol, choline, citric acid, cortisol, cyanocobalamin, disulfur dinitride, dopamine, ergocalciferol, estradiol, ethanol, folic acid, formaldehyde, glucose, glycerin, hydrochloric acid, indigo, inositol, isopropyl alcohol, lactose, melatonin, methane, niacin, octane, oxoborane, pantothenic acid, phytonadione, progesterone, propylene...
Lined notebook with chemical structures for coloring. Includes the following structures: acetate, acetic acid, acetone, adrenaline, ammonia, ascorbic ...
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cena:
32,61 zł |
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Notebook - Chemical Structures Theme
ISBN: 9781530389568 / Angielski / Miękka / 112 str. Termin realizacji zamówienia: ok. 16-18 dni roboczych. Lined notebook with chemical structures for coloring. Includes the following structures: acetate, acetic acid, acetone, adrenaline, ammonia, ascorbic acid, aspirin, beryllium fluoride, beta-carotene, biotin, butane, caffeine, cetyl palmitate, cholecalciferol, cholesterol, choline, citric acid, cortisol, cyanocobalamin, disulfur dinitride, dopamine, ergocalciferol, estradiol, ethanol, folic acid, formaldehyde, glucose, glycerin, hydrochloric acid, indigo, inositol, isopropyl alcohol, lactose, melatonin, methane, niacin, octane, oxoborane, pantothenic acid, phytonadione, progesterone, propylene...
Lined notebook with chemical structures for coloring. Includes the following structures: acetate, acetic acid, acetone, adrenaline, ammonia, ascorbic ...
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cena:
32,61 zł |
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Understanding Macrocycle Effects
ISBN: 9781530234257 / Angielski / Miękka / 132 str. Termin realizacji zamówienia: ok. 16-18 dni roboczych. A macrocycle is, as defined by IUPAC, "a cyclic macromolecule or a macromolecular cyclic portion of a molecule." In the chemical literature, macrocycles varyingly include molecules containing rings of 8 or more atoms, or 12 or more atoms.
A macrocycle is, as defined by IUPAC, "a cyclic macromolecule or a macromolecular cyclic portion of a molecule." In the chemical literature, macrocycl...
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cena:
361,79 zł |
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Chemical Structures Coloring Book 2
ISBN: 9781539365259 / Angielski / Miękka / 110 str. Termin realizacji zamówienia: ok. 16-18 dni roboczych. This coloring book contains the following compounds:
acetaminophen, adenine, alprazolam, amoxicillin, bacitracin, butadiene, chloroform, chlorophyll, clonidine, cytosine, diazepam, estazolam, fluoxetine, guanine, histamine, isoprene, josamycin, ketoconazole, kojic acid, lorazepam, meclizine, melanin, morphine, nicotine, noradrenaline, oxycodone, oxytocin, penicillin, prazepam, quazepam, questin, ranitidine, resveratrol, sertraline, silymarin, thiamine, thymine, tocopherol, uracil, urea, uric acid, valerenic acid, valine, vanillin, vasopressin, warfarin, xylitol, yttrium hydroxide,... This coloring book contains the following compounds:
acetaminophen, adenine, alprazolam, amoxicillin, bacitracin, butadiene, chloroform, chloroph... |
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cena:
50,42 zł |
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