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Kategorie szczegółowe BISAC

Kategoria BISAC: Science >> Chemistry - Computational & Molecular Modeling

ilość książek w kategorii: 148

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 The Supramolecular Chemistry of Organic-Inorganic Hybrid Materials Knut Rurack Ramon Martinez-Manez 9780470376218
The Supramolecular Chemistry of Organic-Inorganic Hybrid Materials

ISBN: 9780470376218 / Angielski / Twarda / 800 str.

ISBN: 9780470376218/Angielski/Twarda/800 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Knut Rurack; Ramon Martinez-Manez
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...

    
cena: 717,20 zł

 Essential Computational Modeling in Chemistry Ciarlet, Philippe G. 9780444537546
Essential Computational Modeling in Chemistry

ISBN: 9780444537546 / Angielski / Miękka / 386 str.

ISBN: 9780444537546/Angielski/Miękka/386 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Philippe G. Ciarlet

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: 326,73 zł

 Computational Molecular Science Schreiner, Peter R. 0 0 9780470723074
Computational Molecular Science

ISBN: 9780470723074 / Angielski / Twarda / 3456 str.

ISBN: 9780470723074/Angielski/Twarda/3456 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Peter R. Schreiner

Easy access to information on all aspects of molecular computations
Order the six-volume set today and benefit from the special introductory price - full details below

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
Order the six-volume set today and benefit from the special ...


    
cena: 7094,59 zł

 Peptide Biosynthesis : Prohormone Convertases 1/3 and 2 Akina Hoshino Iris Lindberg 9781615043644
Peptide Biosynthesis : Prohormone Convertases 1/3 and 2

ISBN: 9781615043644 / Angielski / Miękka / 112 str.

ISBN: 9781615043644/Angielski/Miękka/112 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Akina Hoshino; Iris Lindberg
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 ...

    
cena: 194,82 zł

 Recent Progress In Orbital-free Density Functional Theory Tomasz A. Wesolowski Yan Alexander Wang 9789814436724
Recent Progress In Orbital-free Density Functional Theory

ISBN: 9789814436724 / Angielski / Twarda / 464 str.

ISBN: 9789814436724/Angielski/Twarda/464 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Tomasz A. Wesolowski; Yan Alexander Wang
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...

    
cena: 669,90 zł

 Theoretical And Computational Aspects Of Magnetic Organic Molecules Sambhu N. Datta Carl O. Trindle 9781908977212
Theoretical And Computational Aspects Of Magnetic Organic Molecules

ISBN: 9781908977212 / Angielski / Twarda / 348 str.

ISBN: 9781908977212/Angielski/Twarda/348 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Sambhu N. Datta; Carl O. Trindle
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...

    
cena: 566,42 zł

 Linear-Scaling Techniques in Computational Chemistry and Physics : Methods and Applications Robert Zal Manthos G. Papadopoulos Paul G. Mezey 9789400735569
Linear-Scaling Techniques in Computational Chemistry and Physics : Methods and Applications

ISBN: 9789400735569 / Angielski / Miękka / 516 str.

ISBN: 9789400735569/Angielski/Miękka/516 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Robert Zale Ny; Manthos G. Papadopoulos; Paul G. Mezey

"Linear-Scaling Techniques in Computational Chemistry and Physics" summarizes recent progresses in linear-scaling 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 linear-scaling methodologies and their applications, outlining hot topics in this field, and pointing to expected developments in the near future. This general...

"Linear-Scaling Techniques in Computational Chemistry and Physics" summarizes recent progresses in linear-scaling techniques and their applications...


    
cena: 1245,00 zł

 Computational Chemistry : Introduction to the Theory and Applications of Molecular and Quantum Mechanics Errol G Lewars 9789048138616
Computational Chemistry : Introduction to the Theory and Applications of Molecular and Quantum Mechanics

ISBN: 9789048138616 / Angielski / Miękka / 682 str.

ISBN: 9789048138616/Angielski/Miękka/682 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Errol G Lewars
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.
The following concepts are...

This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of compu...

    
cena: 331,97 zł

 Chemical Theory Beyond the Born-Oppenheimer Paradigm: Nonadiabatic Electronic and Nuclear Dynamics in Chemical Reactions Kazuo Takatsuka Takehiro Yonehara Kota Hanasaki 9789814619646
Chemical Theory Beyond the Born-Oppenheimer Paradigm: Nonadiabatic Electronic and Nuclear Dynamics in Chemical Reactions

ISBN: 9789814619646 / Angielski / Twarda / 448 str.

ISBN: 9789814619646/Angielski/Twarda/448 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Kazuo Takatsuka; Takehiro Yonehara; Kota Hanasaki
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...

    
cena: 653,56 zł

 Computational Pharmaceutical Solid State Chemistry Abramov, Yuriy A. 9781118700747
Computational Pharmaceutical Solid State Chemistry

ISBN: 9781118700747 / Angielski / Twarda / 424 str.

ISBN: 9781118700747/Angielski/Twarda/424 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Yuriy A. Abramov
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.

    
cena: 614,01 zł

 Applied Principles of Chemometrics Jina Redlin 9781632380555
Applied Principles of Chemometrics

ISBN: 9781632380555 / Angielski / Twarda / 340 str.

ISBN: 9781632380555/Angielski/Twarda/340 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Jina Redlin
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: 663,81 zł

 Computation Book Speedy Publishin 9781681273228
Computation Book

ISBN: 9781681273228 / Angielski / Miękka / 50 str.

ISBN: 9781681273228/Angielski/Miękka/50 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Speedy Publishing LLC

    
cena: 64,05 zł

 Atomistic Computer Simulations of Inorganic glasses Du, Jincheng; Cormack, Alastair 9781118939062
Atomistic Computer Simulations of Inorganic glasses

ISBN: 9781118939062 / Angielski / Twarda / 560 str.

ISBN: 9781118939062/Angielski/Twarda/560 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.

This book is the first introduction/reference to the computer simulation of glass
materials, which are growing in their applications such as telephone technology, construction materials, aerospace materials and more.
Written by the leading experts and active practitioners from across the world, this book provides a comprehensive review of the fundamentals and practical applications of atomistic simulations of inorganic glasses. After providing a concise overview of both classical and first principles simulation methods, the second part of the book focuses on practical examples of...

This book is the first introduction/reference to the computer simulation of glass
materials, which are growing in their applications such as t...


    
cena: 763,63 zł

 
Modelling Molecules and Crystals with Chonx Stix

ISBN: 9781514390290 / Angielski / Miękka / 42 str.

ISBN: 9781514390290/Angielski/Miękka/42 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
MR Andrew Vecsey
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: 48,07 zł

 The Wspc Reference on Organic Electronics: Organic Semiconductors (in 2 Volumes) Jean-Luc Bredas Seth R. Marder 9789814699228
The Wspc Reference on Organic Electronics: Organic Semiconductors (in 2 Volumes)

ISBN: 9789814699228 / Angielski / Twarda / 896 str.

ISBN: 9789814699228/Angielski/Twarda/896 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Jean-Luc Bredas; Seth R. Marder
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...

    
cena: 2461,75 zł

 Supramolecular Chemistry Ethan Zullo Johnson Horovitz 9781518742811
Supramolecular Chemistry

ISBN: 9781518742811 / Angielski / Miękka / 224 str.

ISBN: 9781518742811/Angielski/Miękka/224 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Ethan Zullo; Johnson Horovitz
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...

    
cena: 173,05 zł

 Advances in Mathematical Chemistry and Applications: Volume 2 Subhash Basak 9781681080536
Advances in Mathematical Chemistry and Applications: Volume 2

ISBN: 9781681080536 / Angielski / Miękka / 354 str.

ISBN: 9781681080536/Angielski/Miękka/354 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Subhash Basak

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: 642,67 zł

 Chemical Structures Coloring Book Sonya Writes 9781530212941
Chemical Structures Coloring Book

ISBN: 9781530212941 / Angielski / Miękka / 108 str.

ISBN: 9781530212941/Angielski/Miękka/108 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Sonya Writes
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: 52,64 zł

 Understanding Macrocycle Effects Arthur Durepo 9781530234257
Understanding Macrocycle Effects

ISBN: 9781530234257 / Angielski / Miękka / 132 str.

ISBN: 9781530234257/Angielski/Miękka/132 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Arthur Durepo
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...

    
cena: 384,55 zł

 Chemical Structures Coloring Book 2 Sonya Writes 9781539365259
Chemical Structures Coloring Book 2

ISBN: 9781539365259 / Angielski / Miękka / 110 str.

ISBN: 9781539365259/Angielski/Miękka/110 str.

Termin realizacji zamówienia: ok. 5-8 dni roboczych.
Sonya Writes
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...

    
cena: 52,64 zł

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